5-methyl-2-(3-oxidanylidenebutanoyl)benzenesulfonic acid

Systemtic Name: 5-methyl-2-(3-oxidanylidenebutanoyl)benzenesulfonic acid Openeye Name: 5-methyl-2-(3-oxobutanoyl)benzenesulfonic acid CAS Name: 2-(1,3-dioxobutyl)-5-methylbenzenesulfonic acid IUPAC Name: 5-methyl-2-(3-oxobutanoyl)benzenesulfonic acid Traditional Name: 2-acetoacetyl-5-methyl-besylic acid Formula: C11H12O5S MolecularWeight: 256.27498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O5S/c1-7-3-4-9(10(13)6-8(2)12)11(5-7)17(14,15)16/h3-5H,6H2,1-2H3,(H,14,15,16)