5-phenyl-2-(phenylsulfanylmethyl)pentanoic acid

Systemtic Name: 5-phenyl-2-(phenylsulfanylmethyl)pentanoic acid Openeye Name: 5-phenyl-2-(phenylsulfanylmethyl)pentanoic acid CAS Name: 5-phenyl-2-[(phenylthio)methyl]pentanoic acid IUPAC Name: 5-phenyl-2-(phenylsulfanylmethyl)pentanoic acid Traditional Name: 5-phenyl-2-[(phenylthio)methyl]valeric acid Formula: C18H20O2S MolecularWeight: 300.4152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(CSC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(CSC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H20O2S/c19-18(20)16(14-21-17-12-5-2-6-13-17)11-7-10-15-8-3-1-4-9-15/h1-6,8-9,12-13,16H,7,10-11,14H2,(H,19,20)