4-phenyl-2-(propan-2-ylsulfonylmethyl)butanoic acid

Systemtic Name: 4-phenyl-2-(propan-2-ylsulfonylmethyl)butanoic acid Openeye Name: 2-(isopropylsulfonylmethyl)-4-phenyl-butanoic acid CAS Name: 4-phenyl-2-(propan-2-ylsulfonylmethyl)butanoic acid IUPAC Name: 4-phenyl-2-(propan-2-ylsulfonylmethyl)butanoic acid Traditional Name: 2-(isopropylsulfonylmethyl)-4-phenyl-butyric acid Formula: C14H20O4S MolecularWeight: 284.3712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)CC(CCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)S(=O)(=O)CC(CCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H20O4S/c1-11(2)19(17,18)10-13(14(15)16)9-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,15,16)