methyl 3-[(4-methoxyphenyl)methylsulfanyl]-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoate

Systemtic Name: methyl 3-[(4-methoxyphenyl)methylsulfanyl]-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoate Openeye Name: methyl 2-hydroxy-3-[(4-methoxyphenyl)methylsulfanyl]-3-[2-(8-phenyloctyl)phenyl]propanoate CAS Name: 2-hydroxy-3-[(4-methoxyphenyl)methylthio]-3-[2-(8-phenyloctyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-hydroxy-3-[(4-methoxyphenyl)methylsulfanyl]-3-[2-(8-phenyloctyl)phenyl]propanoate Traditional Name: 2-hydroxy-3-(p-anisylthio)-3-[2-(8-phenyloctyl)phenyl]propionic acid methyl ester Formula: C32H40O4S MolecularWeight: 520.7226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC(C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(C(=O)OC)O

Isomeric SMILES

COC1=CC=C(C=C1)CSC(C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(C(=O)OC)O

InChI

InChI=1S/C32H40O4S/c1-35-28-22-20-26(21-23-28)24-37-31(30(33)32(34)36-2)29-19-13-12-18-27(29)17-11-6-4-3-5-8-14-25-15-9-7-10-16-25/h7,9-10,12-13,15-16,18-23,30-31,33H,3-6,8,11,14,17,24H2,1-2H3