5-(2,4-disulfobutylamino)-2-(1,3-thiazol-2-yldiazenyl)benzoic acid

Systemtic Name: 5-(2,4-disulfobutylamino)-2-(1,3-thiazol-2-yldiazenyl)benzoic acid Openeye Name: 5-(2,4-disulfobutylamino)-2-thiazol-2-ylazo-benzoic acid CAS Name: 5-(2,4-disulfobutylamino)-2-(2-thiazolylazo)benzoic acid IUPAC Name: 5-(2,4-disulfobutylamino)-2-(1,3-thiazol-2-yldiazenyl)benzoic acid Traditional Name: 5-(2,4-disulfobutylamino)-2-thiazol-2-ylazo-benzoic acid Formula: C14H16N4O8S3 MolecularWeight: 464.49384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCC(CCS(=O)(=O)O)S(=O)(=O)O)C(=O)O)N=NC2=NC=CS2

Isomeric SMILES

C1=CC(=C(C=C1NCC(CCS(=O)(=O)O)S(=O)(=O)O)C(=O)O)N=NC2=NC=CS2

InChI

InChI=1S/C14H16N4O8S3/c19-13(20)11-7-9(1-2-12(11)17-18-14-15-4-5-27-14)16-8-10(29(24,25)26)3-6-28(21,22)23/h1-2,4-5,7,10,16H,3,6,8H2,(H,19,20)(H,21,22,23)(H,24,25,26)