92647 <common-name>Barium bis[3-chloro-4-ethyl-5-[(2-hydroxy-1-naphthyl)azo]benzenesulphonate]</common-name> <description>Barium bis[3-chloro-4-ethyl-5-[(2-hydroxy-1-naphthyl)azo]benzenesulphonate] belongs to the naphthols and derivatives, a subclass of naphthalenes within the organic compounds. It is classified as a benzenoid with the formula C18H15ClN2O4S. With an average molecular weight of 916.99 g/mol, Barium bis[3-chloro-4-ethyl-5-[(2-hydroxy-1-naphthyl)azo]benzenesulphonate] is a heavy molecule.</description> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C18H15ClN2O4S</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">2026-04-05T01:41:55Z</created-at> <updated-at type="dateTime">2026-04-05T01:41:55Z</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>[Ba++].CCC1=C(Cl)C=C(C=C1N=NC1=C2C=CC=CC2=CC=C1O)S([O-])(=O)=O.CCC1=C(C=C(C=C1Cl)S([O-])(=O)=O)N=NC1=C2C=CC=CC2=CC=C1O</moldb-smiles> <moldb-formula>C18H15ClN2O4S</moldb-formula> <moldb-inchi>InChI=1/2C18H15ClN2O4S.Ba/c2*1-2-13-15(19)9-12(26(23,24)25)10-16(13)20-21-18-14-6-4-3-5-11(14)7-8-17(18)22;/h2*3-10,22H,2H2,1H3,(H,23,24,25);/q;;+2/p-2</moldb-inchi> <moldb-inchikey>DKPXLHIXTTUWPN-UHFFFAOYSA-L</moldb-inchikey> <moldb-average-mass type="decimal">916.99</moldb-average-mass> <moldb-mono-mass type="decimal">390.0441056</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>CHEM088540</chemdb-id> <dsstox-id>DTXSID7070763</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00054100</susdat-id> <iupac nil="true"/> <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>Naphthols and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0180789</sync-id> <structure-inchikey>DKPXLHIXTTUWPN-UHFFFAOYSA-L</structure-inchikey> <structure-fingerprint>2000000000000000800000000000000000000000000000100000000000000000010002000001040000020002000000000020000000000000000000000000000000000000400000000000002000000020000000000000001004000000000000000000010000100000000000102000020000001000000000000000000000000000000040000001800080000000000000000200000100000000000000000000000008040000000000040000080000000000000000000040180001010000000000000000040200002100000000000000400010000000000000000200000000000100000000000801000040000000000000000000000400000000000000002000</structure-fingerprint> 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