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

Systemtic Name: 2-methoxy-5-(3-oxidanylidenebutanoylamino)benzenesulfonic acid Openeye Name: 2-methoxy-5-(3-oxobutanoylamino)benzenesulfonic acid CAS Name: 5-(1,3-dioxobutylamino)-2-methoxybenzenesulfonic acid IUPAC Name: 2-methoxy-5-(3-oxobutanoylamino)benzenesulfonic acid Traditional Name: 5-(acetoacetylamino)-2-methoxy-besylic acid Formula: C11H13NO6S MolecularWeight: 287.28902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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