S-hexyl 2-[2-(4-hydroxyphenyl)ethylsulfanyl]-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanethioate

Systemtic Name: S-hexyl 2-[2-(4-hydroxyphenyl)ethylsulfanyl]-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanethioate Openeye Name: S-hexyl 2-[2-(4-hydroxyphenyl)ethylsulfanyl]-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanethioate CAS Name: 2-[2-(4-hydroxyphenyl)ethylthio]-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanethioic acid S-hexyl ester IUPAC Name: S-hexyl 2-[2-(4-hydroxyphenyl)ethylsulfanyl]-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanethioate Traditional Name: 2-[2-(4-hydroxyphenyl)ethylthio]-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanethioic acid S-hexyl ester Formula: C32H40O6S3 MolecularWeight: 616.8514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(=O)C(CC1=CC=C(C=C1)CCOC2=CC=C(C=C2)OS(=O)(=O)C)SCCC3=CC=C(C=C3)O

Isomeric SMILES

CCCCCCSC(=O)C(CC1=CC=C(C=C1)CCOC2=CC=C(C=C2)OS(=O)(=O)C)SCCC3=CC=C(C=C3)O

InChI

InChI=1S/C32H40O6S3/c1-3-4-5-6-22-40-32(34)31(39-23-20-26-11-13-28(33)14-12-26)24-27-9-7-25(8-10-27)19-21-37-29-15-17-30(18-16-29)38-41(2,35)36/h7-18,31,33H,3-6,19-24H2,1-2H3