4-methyl-2-(2-oxidanylidenepropyl)benzenesulfonic acid

Systemtic Name: 4-methyl-2-(2-oxidanylidenepropyl)benzenesulfonic acid Openeye Name: 2-acetonyl-4-methyl-benzenesulfonic acid CAS Name: 4-methyl-2-(2-oxopropyl)benzenesulfonic acid IUPAC Name: 4-methyl-2-(2-oxopropyl)benzenesulfonic acid Traditional Name: 2-acetonyl-4-methyl-besylic acid Formula: C10H12O4S MolecularWeight: 228.26488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O4S/c1-7-3-4-10(15(12,13)14)9(5-7)6-8(2)11/h3-5H,6H2,1-2H3,(H,12,13,14)