3-methoxy-4-[(3-methylphenyl)amino]-2,4-bis(oxidanylidene)butane-1-sulfonic acid

Systemtic Name: 3-methoxy-4-[(3-methylphenyl)amino]-2,4-bis(oxidanylidene)butane-1-sulfonic acid Openeye Name: 3-methoxy-4-(3-methylanilino)-2,4-dioxo-butane-1-sulfonic acid CAS Name: 3-methoxy-4-(3-methylanilino)-2,4-dioxo-1-butanesulfonic acid IUPAC Name: 3-methoxy-4-(3-methylanilino)-2,4-dioxobutane-1-sulfonic acid Traditional Name: 2,4-diketo-3-methoxy-4-(m-toluidino)butane-1-sulfonic acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C(=O)CS(=O)(=O)O)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C(=O)CS(=O)(=O)O)OC

InChI

InChI=1S/C12H15NO6S/c1-8-4-3-5-9(6-8)13-12(15)11(19-2)10(14)7-20(16,17)18/h3-6,11H,7H2,1-2H3,(H,13,15)(H,16,17,18)