2-azanyl-3-methoxy-6-methyl-4-(3-oxidanylidenebutanoyl)benzenesulfonic acid

Systemtic Name: 2-azanyl-3-methoxy-6-methyl-4-(3-oxidanylidenebutanoyl)benzenesulfonic acid Openeye Name: 2-amino-3-methoxy-6-methyl-4-(3-oxobutanoyl)benzenesulfonic acid CAS Name: 2-amino-4-(1,3-dioxobutyl)-3-methoxy-6-methylbenzenesulfonic acid IUPAC Name: 2-amino-3-methoxy-6-methyl-4-(3-oxobutanoyl)benzenesulfonic acid Traditional Name: 4-acetoacetyl-2-amino-3-methoxy-6-methyl-besylic acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)CC(=O)C)OC)N)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)CC(=O)C)OC)N)S(=O)(=O)O

InChI

InChI=1S/C12H15NO6S/c1-6-4-8(9(15)5-7(2)14)11(19-3)10(13)12(6)20(16,17)18/h4H,5,13H2,1-3H3,(H,16,17,18)