4-(3-methylbutylsulfonyl)benzoic acid

Systemtic Name: 4-(3-methylbutylsulfonyl)benzoic acid Openeye Name: 4-isopentylsulfonylbenzoic acid CAS Name: 4-(3-methylbutylsulfonyl)benzoic acid IUPAC Name: 4-(3-methylbutylsulfonyl)benzoic acid Traditional Name: 4-isoamylsulfonylbenzoic acid Formula: C12H16O4S MolecularWeight: 256.31804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCS(=O)(=O)C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)CCS(=O)(=O)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H16O4S/c1-9(2)7-8-17(15,16)11-5-3-10(4-6-11)12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)