350552 <common-name>4-[(2e)-5,6-dichloro-3-ethyl-2-[(e)-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]prop-2-enylidene]benzimidazol-1-yl]butane-2-sulfonic acid</common-name> <description>4-[(2e)-5,6-dichloro-3-ethyl-2-[(e)-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]prop-2-enylidene]benzimidazol-1-yl]butane-2-sulfonic acid has the chemical formula C30H32Cl2N3O6S3+. With an average molecular weight of 697.70 g/mol, 4-[(2e)-5,6-dichloro-3-ethyl-2-[(e)-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]prop-2-enylidene]benzimidazol-1-yl]butane-2-sulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>6441905</pubchem-id> <chemical-formula>C30H32Cl2N3O6S3+</chemical-formula> <weight>697.7</weight> <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">2026-08-31T15:41:29Z</created-at> <updated-at type="dateTime">2026-08-31T15:41:29Z</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>CCN1C2=CC(=C(C=C2N(C1=CC=CC3=[N+](C4=C(S3)C=CC5=CC=CC=C54)CCCS(=O)(=O)O)CCC(C)S(=O)(=O)O)Cl)Cl</moldb-smiles> <moldb-formula>C30H32Cl2N3O6S3+</moldb-formula> <moldb-inchi>InChI=1S/C30H31Cl2N3O6S3/c1-3-33-25-18-23(31)24(32)19-26(25)34(16-14-20(2)44(39,40)41)28(33)10-6-11-29-35(15-7-17-43(36,37)38)30-22-9-5-4-8-21(22)12-13-27(30)42-29/h4-6,8-13,18-20H,3,7,14-17H2,1-2H3,(H-,36,37,38,39,40,41)/p+1</moldb-inchi> <moldb-inchikey>BZZDCNDLMSDARE-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass 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<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>Organoheterocyclic compounds</superklass> <klass>Naphthothiazoles</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0300857</sync-id> <structure-inchikey>BZZDCNDLMSDARE-UHFFFAOYSA-O</structure-inchikey> 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