2-(2-butylsulfonyl-1-phenyl-ethyl)pentanedioic acid

Systemtic Name: 2-(2-butylsulfonyl-1-phenyl-ethyl)pentanedioic acid Openeye Name: 2-(2-butylsulfonyl-1-phenyl-ethyl)pentanedioic acid CAS Name: 2-(2-butylsulfonyl-1-phenylethyl)pentanedioic acid IUPAC Name: 2-(2-butylsulfonyl-1-phenylethyl)pentanedioic acid Traditional Name: 2-(2-butylsulfonyl-1-phenyl-ethyl)glutaric acid Formula: C17H24O6S MolecularWeight: 356.43386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(C1=CC=CC=C1)C(CCC(=O)O)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)CC(C1=CC=CC=C1)C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C17H24O6S/c1-2-3-11-24(22,23)12-15(13-7-5-4-6-8-13)14(17(20)21)9-10-16(18)19/h4-8,14-15H,2-3,9-12H2,1H3,(H,18,19)(H,20,21)