108470 <common-name>Calcium bis[2-[(2-hydroxynaphthyl)azo]naphthalenesulphonate]</common-name> <description>Calcium bis[2-[(2-hydroxynaphthyl)azo]naphthalenesulphonate] belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. It is classified as a benzenoid with the formula C40H26CaN4O8S2. With an average molecular weight of 794.87 g/mol, Calcium bis[2-[(2-hydroxynaphthyl)azo]naphthalenesulphonate] is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>14201</pubchem-id> <chemical-formula>C40H26CaN4O8S2</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-05T15:35:46Z</created-at> <updated-at type="dateTime">2026-04-05T15:35:46Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>[Ca++].OC1=C(N=NC2=C(C3=C(C=CC=C3)C=C2)S([O-])(=O)=O)C2=C(C=CC=C2)C=C1.OC1=C(N=NC2=C(C3=C(C=CC=C3)C=C2)S([O-])(=O)=O)C2=C(C=CC=C2)C=C1</moldb-smiles> <moldb-formula>C40H26CaN4O8S2</moldb-formula> <moldb-inchi>InChI=1S/2C20H14N2O4S.Ca/c2*23-18-12-10-13-5-1-3-7-15(13)19(18)22-21-17-11-9-14-6-2-4-8-16(14)20(17)27(24,25)26;/h2*1-12,23H,(H,24,25,26);/q;;+2/p-2</moldb-inchi> <moldb-inchikey>UETSCOQSVNUXDH-UHFFFAOYSA-L</moldb-inchikey> <moldb-average-mass type="decimal">794.87</moldb-average-mass> <moldb-mono-mass type="decimal">794.0817968</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM104363</chemdb-id> <dsstox-id>DTXSID2061486</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00075643</susdat-id> <iupac>Calcium bis{2-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate}</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Naphthalenes</klass> <subklass>Naphthalene sulfonic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0157833</sync-id> <structure-inchikey>UETSCOQSVNUXDH-UHFFFAOYSA-L</structure-inchikey> <structure-fingerprint>20000000000000000000000000020000000000000000001000000000000000000000000000000400000200000000000000000000000000000000000000000000000000000010000000000020000000200000000000000010040000000080000000000100001000000000000000000000000010000000000000000000000400000000000000018000800000000000000000000001000000000000000000000000000c0000200000040000080000000000000000000000180001010000000000000000040000002100000000000000400000000000000000000200000000000000000000000801000040000000000000000000000040000000000000000000</structure-fingerprint> 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