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

Systemtic Name: 3-azanyl-4-methyl-5-(sulfomethyl)-2-(1,3-thiazol-2-yldiazenyl)benzoic acid Openeye Name: 3-amino-4-methyl-5-(sulfomethyl)-2-thiazol-2-ylazo-benzoic acid CAS Name: 3-amino-4-methyl-5-(sulfomethyl)-2-(2-thiazolylazo)benzoic acid IUPAC Name: 3-amino-4-methyl-5-(sulfomethyl)-2-(1,3-thiazol-2-yldiazenyl)benzoic acid Traditional Name: 3-amino-4-methyl-5-(sulfomethyl)-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(=C1N)N=NC2=NC=CS2)C(=O)O)CS(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C(=C1N)N=NC2=NC=CS2)C(=O)O)CS(=O)(=O)O

InChI

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