3-[2-(carboxymethyloxy)ethylsulfanyl]-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoate

Systemtic Name: 3-[2-(carboxymethyloxy)ethylsulfanyl]-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoate Openeye Name: 3-[2-(carboxymethyloxy)ethylsulfanyl]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoate CAS Name: 3-[2-(carboxymethyloxy)ethylthio]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoate IUPAC Name: 3-[2-(carboxymethyloxy)ethylsulfanyl]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoate Traditional Name: 3-[2-(carboxymethyloxy)ethylthio]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propionate Formula: C27H35O6S- MolecularWeight: 487.6282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C(C(C(=O)[O-])O)SCCOCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C(C(C(=O)[O-])O)SCCOCC(=O)O

InChI

InChI=1S/C27H36O6S/c28-24(29)20-33-18-19-34-26(25(30)27(31)32)23-17-11-10-16-22(23)15-9-4-2-1-3-6-12-21-13-7-5-8-14-21/h5,7-8,10-11,13-14,16-17,25-26,30H,1-4,6,9,12,15,18-20H2,(H,28,29)(H,31,32)/p-1