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

Systemtic Name: 3-methoxy-4-(3-oxidanylidenebutanoylamino)benzenesulfonic acid Openeye Name: 3-methoxy-4-(3-oxobutanoylamino)benzenesulfonic acid CAS Name: 4-(1,3-dioxobutylamino)-3-methoxybenzenesulfonic acid IUPAC Name: 3-methoxy-4-(3-oxobutanoylamino)benzenesulfonic acid Traditional Name: 4-(acetoacetylamino)-3-methoxy-besylic acid Formula: C11H13NO6S MolecularWeight: 287.28902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)O)OC

Isomeric SMILES

CC(=O)CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)O)OC

InChI

InChI=1S/C11H13NO6S/c1-7(13)5-11(14)12-9-4-3-8(19(15,16)17)6-10(9)18-2/h3-4,6H,5H2,1-2H3,(H,12,14)(H,15,16,17)