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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CC(=O)C)OC)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CC(=O)C)OC)S(=O)(=O)O

InChI

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