66691 <common-name>C.I. Acid Yellow 218</common-name> <description>C.I. Acid Yellow 218 belongs to the phenylcarbamic acid esters, a subclass of benzene and substituted derivatives within the organic compounds. It has the chemical formula C29H37Cl2N5O9S2. With an average molecular weight of 778.62 g/mol, C.I. Acid Yellow 218 is a heavy molecule. It is further classified as part of the benzenoids superclass.</description> <cas nil="true"/> <pubchem-id>5362577</pubchem-id> <chemical-formula>C29H37Cl2N5O9S2</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">2026-04-03T07:06:55Z</created-at> <updated-at type="dateTime">2026-04-03T07:06:55Z</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>[Na+].[Na+].CCCCCCCCCCCCOC(=O)NC1=CC(N=NC2C(C)=NN(C2=O)C2=CC(Cl)=C(C=C2Cl)S([O-])(=O)=O)=C(C=C1)S([O-])(=O)=O</moldb-smiles> <moldb-formula>C29H37Cl2N5O9S2</moldb-formula> <moldb-inchi>InChI=1S/C29H37Cl2N5O9S2/c1-3-4-5-6-7-8-9-10-11-12-15-45-29(38)32-20-13-14-25(46(39,40)41)23(16-20)33-34-27-19(2)35-36(28(27)37)24-17-22(31)26(18-21(24)30)47(42,43)44/h13-14,16-18,27H,3-12,15H2,1-2H3,(H,32,38)(H,39,40,41)(H,42,43,44)/b34-33+/t27-/m0/s1</moldb-inchi> <moldb-inchikey>HKAOXGYNZYWYAQ-ZIJRHPRE-L</moldb-inchikey> <moldb-average-mass type="decimal">778.62</moldb-average-mass> <moldb-mono-mass type="decimal">733.140975</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>21168348</chemspider-id> <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>CHEM062584</chemdb-id> <dsstox-id>DTXSID5041720</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00019840</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>Benzene and substituted derivatives</klass> <subklass>Phenylcarbamic acid esters</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0133166</sync-id> <structure-inchikey>HKAOXGYNZYWYAQ-UHFFFAOYSA-L</structure-inchikey> <structure-fingerprint>4042000000000000000800000000000000810000000008100800000000000000000000002000020000008020002002000800000000000000800000000000004000000000800400000010000000000008020000000000100001004000000000000000020010000100010000000100000000100001100100000000000000000100001000048000000000000000000010080000000000000040000000040000000000100040002000000000008080000800000000008000000092000000000000000000000000000800000000000000000000010000002012002000202000000000000008000000000000040000000010400000040400000000008001000000200</structure-fingerprint> 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