2-(2-methylpropyl)-3-phenylsulfanyl-butanedioic acid

Systemtic Name: 2-(2-methylpropyl)-3-phenylsulfanyl-butanedioic acid Openeye Name: 2-isobutyl-3-phenylsulfanyl-butanedioic acid CAS Name: 2-(2-methylpropyl)-3-(phenylthio)butanedioic acid IUPAC Name: 2-(2-methylpropyl)-3-phenylsulfanylbutanedioic acid Traditional Name: 2-isobutyl-3-(phenylthio)succinic acid Formula: C14H18O4S MolecularWeight: 282.35532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(=O)O)SC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)CC(C(C(=O)O)SC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H18O4S/c1-9(2)8-11(13(15)16)12(14(17)18)19-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3,(H,15,16)(H,17,18)