methyl 3-(4-hydroxyphenyl)sulfanyl-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoate

Systemtic Name: methyl 3-(4-hydroxyphenyl)sulfanyl-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoate Openeye Name: methyl 2-hydroxy-3-(4-hydroxyphenyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoate CAS Name: 2-hydroxy-3-[(4-hydroxyphenyl)thio]-3-[2-(8-phenyloctyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-hydroxy-3-(4-hydroxyphenyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoate Traditional Name: 2-hydroxy-3-[(4-hydroxyphenyl)thio]-3-[2-(8-phenyloctyl)phenyl]propionic acid methyl ester Formula: C30H36O4S MolecularWeight: 492.66944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)SC3=CC=C(C=C3)O)O

Isomeric SMILES

COC(=O)C(C(C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)SC3=CC=C(C=C3)O)O

InChI

InChI=1S/C30H36O4S/c1-34-30(33)28(32)29(35-26-21-19-25(31)20-22-26)27-18-12-11-17-24(27)16-10-5-3-2-4-7-13-23-14-8-6-9-15-23/h6,8-9,11-12,14-15,17-22,28-29,31-32H,2-5,7,10,13,16H2,1H3