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

Systemtic Name: 4-methyl-5-(1-sulfoethylamino)-2-(1,3-thiazol-2-yldiazenyl)benzoic acid Openeye Name: 4-methyl-5-(1-sulfoethylamino)-2-thiazol-2-ylazo-benzoic acid CAS Name: 4-methyl-5-(1-sulfoethylamino)-2-(2-thiazolylazo)benzoic acid IUPAC Name: 4-methyl-5-(1-sulfoethylamino)-2-(1,3-thiazol-2-yldiazenyl)benzoic acid Traditional Name: 4-methyl-5-(1-sulfoethylamino)-2-thiazol-2-ylazo-benzoic acid Formula: C13H14N4O5S2 MolecularWeight: 370.40406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O5S2/c1-7-5-11(16-17-13-14-3-4-23-13)9(12(18)19)6-10(7)15-8(2)24(20,21)22/h3-6,8,15H,1-2H3,(H,18,19)(H,20,21,22)