3-[2-carboxyethylsulfanyl-[2-(8-phenyloctyl)phenyl]methyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-carboxyethylsulfanyl-[2-(8-phenyloctyl)phenyl]methyl]sulfanylpropanoic acid Openeye Name: 3-[2-carboxyethylsulfanyl-[2-(8-phenyloctyl)phenyl]methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-carboxyethylthio)-[2-(8-phenyloctyl)phenyl]methyl]thio]propanoic acid IUPAC Name: 3-[2-carboxyethylsulfanyl-[2-(8-phenyloctyl)phenyl]methyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-carboxyethylthio)-[2-(8-phenyloctyl)phenyl]methyl]thio]propionic acid Formula: C27H36O4S2 MolecularWeight: 488.70234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C(SCCC(=O)O)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C(SCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C27H36O4S2/c28-25(29)18-20-32-27(33-21-19-26(30)31)24-17-11-10-16-23(24)15-9-4-2-1-3-6-12-22-13-7-5-8-14-22/h5,7-8,10-11,13-14,16-17,27H,1-4,6,9,12,15,18-21H2,(H,28,29)(H,30,31)