2-(3-oxidanylidenebutyl)benzenesulfonic acid

Systemtic Name: 2-(3-oxidanylidenebutyl)benzenesulfonic acid Openeye Name: 2-(3-oxobutyl)benzenesulfonic acid CAS Name: 2-(3-oxobutyl)benzenesulfonic acid IUPAC Name: 2-(3-oxobutyl)benzenesulfonic acid Traditional Name: 2-(3-ketobutyl)besylic acid Formula: C10H12O4S MolecularWeight: 228.26488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=CC=C1S(=O)(=O)O

Isomeric SMILES

CC(=O)CCC1=CC=CC=C1S(=O)(=O)O

InChI

InChI=1S/C10H12O4S/c1-8(11)6-7-9-4-2-3-5-10(9)15(12,13)14/h2-5H,6-7H2,1H3,(H,12,13,14)