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

Systemtic Name: 4-methyl-5-(1-sulfopropylamino)-2-(1,3-thiazol-2-yldiazenyl)benzoic acid Openeye Name: 4-methyl-5-(1-sulfopropylamino)-2-thiazol-2-ylazo-benzoic acid CAS Name: 4-methyl-5-(1-sulfopropylamino)-2-(2-thiazolylazo)benzoic acid IUPAC Name: 4-methyl-5-(1-sulfopropylamino)-2-(1,3-thiazol-2-yldiazenyl)benzoic acid Traditional Name: 4-methyl-5-(1-sulfopropylamino)-2-thiazol-2-ylazo-benzoic acid Formula: C14H16N4O5S2 MolecularWeight: 384.43064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC1=C(C=C(C(=C1)C(=O)O)N=NC2=NC=CS2)C)S(=O)(=O)O

Isomeric SMILES

CCC(NC1=C(C=C(C(=C1)C(=O)O)N=NC2=NC=CS2)C)S(=O)(=O)O

InChI

InChI=1S/C14H16N4O5S2/c1-3-12(25(21,22)23)16-10-7-9(13(19)20)11(6-8(10)2)17-18-14-15-4-5-24-14/h4-7,12,16H,3H2,1-2H3,(H,19,20)(H,21,22,23)