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

Systemtic Name: (4-methoxyphenyl)methylsulfanyl 3-[2-(8-phenyloctyl)phenyl]propanoate Openeye Name: (4-methoxyphenyl)methylsulfanyl 3-[2-(8-phenyloctyl)phenyl]propanoate CAS Name: 3-[2-(8-phenyloctyl)phenyl]propanoic acid [(4-methoxyphenyl)methylthio] ester IUPAC Name: (4-methoxyphenyl)methylsulfanyl 3-[2-(8-phenyloctyl)phenyl]propanoate Traditional Name: 3-[2-(8-phenyloctyl)phenyl]propionic acid (p-anisylthio) ester Formula: C31H38O3S MolecularWeight: 490.69662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSOC(=O)CCC2=CC=CC=C2CCCCCCCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CSOC(=O)CCC2=CC=CC=C2CCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C31H38O3S/c1-33-30-22-19-27(20-23-30)25-35-34-31(32)24-21-29-18-12-11-17-28(29)16-10-5-3-2-4-7-13-26-14-8-6-9-15-26/h6,8-9,11-12,14-15,17-20,22-23H,2-5,7,10,13,16,21,24-25H2,1H3