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

Systemtic Name: 2-methyl-4-(3-oxidanylidenebutanoylamino)benzenesulfonic acid Openeye Name: 2-methyl-4-(3-oxobutanoylamino)benzenesulfonic acid CAS Name: 4-(1,3-dioxobutylamino)-2-methylbenzenesulfonic acid IUPAC Name: 2-methyl-4-(3-oxobutanoylamino)benzenesulfonic acid Traditional Name: 4-(acetoacetylamino)-2-methyl-besylic acid Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CC(=O)C)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CC(=O)C)S(=O)(=O)O

InChI

InChI=1S/C11H13NO5S/c1-7-5-9(12-11(14)6-8(2)13)3-4-10(7)18(15,16)17/h3-5H,6H2,1-2H3,(H,12,14)(H,15,16,17)