methyl 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-3-methyl-5-sulfanylidene-hexanoate

Systemtic Name: methyl 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-3-methyl-5-sulfanylidene-hexanoate Openeye Name: methyl 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]phenyl]-3-methyl-5-thioxo-hexanoate CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]phenyl]-3-methyl-5-sulfanylidenehexanoic acid methyl ester IUPAC Name: methyl 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]phenyl]-3-methyl-5-sulfanylidenehexanoate Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]phenyl]-3-methyl-5-thioxo-hexanoic acid methyl ester Formula: C28H36O5S2 MolecularWeight: 516.71244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC=C(C=C2)C(C(C)CC(=O)OC)C(=S)C

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC=C(C=C2)C(C(C)CC(=O)OC)C(=S)C

InChI

InChI=1S/C28H36O5S2/c1-6-8-24-25(14-13-23(19(3)29)28(24)31)33-15-7-16-35-22-11-9-21(10-12-22)27(20(4)34)18(2)17-26(30)32-5/h9-14,18,27,31H,6-8,15-17H2,1-5H3