3-methoxy-2-methyl-4-(3-oxidanylidenebutanoylamino)benzenesulfonic acid

Systemtic Name: 3-methoxy-2-methyl-4-(3-oxidanylidenebutanoylamino)benzenesulfonic acid Openeye Name: 3-methoxy-2-methyl-4-(3-oxobutanoylamino)benzenesulfonic acid CAS Name: 4-(1,3-dioxobutylamino)-3-methoxy-2-methylbenzenesulfonic acid IUPAC Name: 3-methoxy-2-methyl-4-(3-oxobutanoylamino)benzenesulfonic acid Traditional Name: 4-(acetoacetylamino)-3-methoxy-2-methyl-besylic acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)NC(=O)CC(=O)C)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1OC)NC(=O)CC(=O)C)S(=O)(=O)O

InChI

InChI=1S/C12H15NO6S/c1-7(14)6-11(15)13-9-4-5-10(20(16,17)18)8(2)12(9)19-3/h4-5H,6H2,1-3H3,(H,13,15)(H,16,17,18)