3-[(2-methoxy-4-methoxycarbonyl-phenyl)methylsulfanyl]-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoate

Systemtic Name: 3-[(2-methoxy-4-methoxycarbonyl-phenyl)methylsulfanyl]-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoate Openeye Name: 2-hydroxy-3-[(2-methoxy-4-methoxycarbonyl-phenyl)methylsulfanyl]-3-[2-(8-phenyloctyl)phenyl]propanoate CAS Name: 2-hydroxy-3-[(2-methoxy-4-methoxycarbonylphenyl)methylthio]-3-[2-(8-phenyloctyl)phenyl]propanoate IUPAC Name: 2-hydroxy-3-[(2-methoxy-4-methoxycarbonylphenyl)methylsulfanyl]-3-[2-(8-phenyloctyl)phenyl]propanoate Traditional Name: 3-[(4-carbomethoxy-2-methoxy-benzyl)thio]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propionate Formula: C33H39O6S- MolecularWeight: 563.72416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H40O6S/c1-38-29-22-26(33(37)39-2)20-21-27(29)23-40-31(30(34)32(35)36)28-19-13-12-18-25(28)17-11-6-4-3-5-8-14-24-15-9-7-10-16-24/h7,9-10,12-13,15-16,18-22,30-31,34H,3-6,8,11,14,17,23H2,1-2H3,(H,35,36)/p-1