4-(3-azanyl-2-methyl-phenyl)-3-methoxy-2,4-bis(oxidanylidene)butane-1-sulfonic acid

Systemtic Name: 4-(3-azanyl-2-methyl-phenyl)-3-methoxy-2,4-bis(oxidanylidene)butane-1-sulfonic acid Openeye Name: 4-(3-amino-2-methyl-phenyl)-3-methoxy-2,4-dioxo-butane-1-sulfonic acid CAS Name: 4-(3-amino-2-methylphenyl)-3-methoxy-2,4-dioxo-1-butanesulfonic acid IUPAC Name: 4-(3-amino-2-methylphenyl)-3-methoxy-2,4-dioxobutane-1-sulfonic acid Traditional Name: 4-(3-amino-2-methyl-phenyl)-2,4-diketo-3-methoxy-butane-1-sulfonic acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N)C(=O)C(C(=O)CS(=O)(=O)O)OC

Isomeric SMILES

CC1=C(C=CC=C1N)C(=O)C(C(=O)CS(=O)(=O)O)OC

InChI

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