99651 <common-name>Nitrophenyl 3-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-1-naphthyl]azo]-4-methoxybenzenesulphonate</common-name> <description>Nitrophenyl 3-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-1-naphthyl]azo]-4-methoxybenzenesulphonate belongs to the naphthols and derivatives, a subclass of naphthalenes within the organic compounds. It is categorized under the benzenoids superclass and has the chemical formula C31H25N4O8S. With an average molecular weight of 612.61 g/mol, Nitrophenyl 3-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-1-naphthyl]azo]-4-methoxybenzenesulphonate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>135853678</pubchem-id> <chemical-formula>C31H25N4O8S</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">2026-04-05T07:02:46Z</created-at> <updated-at type="dateTime">2026-04-05T07:02:46Z</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>COC1=CC=C(C=C1N=NC1=C2C=CC=CC2=CC(C(=O)NC2=CC=CC=C2C)=C1O)S(=O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O</moldb-smiles> <moldb-formula>C31H25N4O8S</moldb-formula> <moldb-inchi>InChI=1/C31H24N4O8S/c1-19-9-3-6-12-24(19)32-31(37)23-17-20-10-4-5-11-22(20)29(30(23)36)34-33-25-18-21(15-16-27(25)42-2)44(40,41)43-28-14-8-7-13-26(28)35(38)39/h3-18,36H,1-2H3,(H,32,37)</moldb-inchi> <moldb-inchikey>UORQSRSLZXYOJT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">612.61</moldb-average-mass> <moldb-mono-mass type="decimal">613.1393098</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>CHEM095544</chemdb-id> <dsstox-id>DTXSID90868156</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00062531</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>CED0103234</sync-id> <structure-inchikey>SECAKRZQBSFFML-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000002000000000000000000080020002000000000004000000000000000012000000a0000000000000000000000000000000002000020000000000000000000000000002000000020200000000100001204000000400040000000010000000a43080000100000000000001000100003000000000000000000000040000001800000000000000080000000041100000080000000000020000040000000000001040000080100000000000000000000080001000000000080000000040200002000000000000000400000008000002000000200000000000000428000800801000040100000000400000000001020000101000000000000</structure-fingerprint> 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