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

Systemtic Name: 5-methoxy-2-methyl-4-(3-oxidanylidenebutanoylamino)benzenesulfonic acid Openeye Name: 5-methoxy-2-methyl-4-(3-oxobutanoylamino)benzenesulfonic acid CAS Name: 4-(1,3-dioxobutylamino)-5-methoxy-2-methylbenzenesulfonic acid IUPAC Name: 5-methoxy-2-methyl-4-(3-oxobutanoylamino)benzenesulfonic acid Traditional Name: 4-(acetoacetylamino)-5-methoxy-2-methyl-besylic acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)O)OC)NC(=O)CC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)O)OC)NC(=O)CC(=O)C

InChI

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