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

Systemtic Name: 4-methyl-5-(sulfomethylamino)-2-(1,3-thiazol-2-yldiazenyl)benzoic acid Openeye Name: 4-methyl-5-(sulfomethylamino)-2-thiazol-2-ylazo-benzoic acid CAS Name: 4-methyl-5-(sulfomethylamino)-2-(2-thiazolylazo)benzoic acid IUPAC Name: 4-methyl-5-(sulfomethylamino)-2-(1,3-thiazol-2-yldiazenyl)benzoic acid Traditional Name: 4-methyl-5-(sulfomethylamino)-2-thiazol-2-ylazo-benzoic acid Formula: C12H12N4O5S2 MolecularWeight: 356.37748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)N=NC2=NC=CS2)C(=O)O)NCS(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C(=C1)N=NC2=NC=CS2)C(=O)O)NCS(=O)(=O)O

InChI

InChI=1S/C12H12N4O5S2/c1-7-4-10(15-16-12-13-2-3-22-12)8(11(17)18)5-9(7)14-6-23(19,20)21/h2-5,14H,6H2,1H3,(H,17,18)(H,19,20,21)