[2-(acetyloxymethyl)-6-(2-non-6-ynyl-2-oxidanyl-5-oxidanylidene-4-phenethylsulfanyl-cyclopent-3-en-1-yl)-6-oxidanyl-hexyl] ethanoate

Systemtic Name: [2-(acetyloxymethyl)-6-(2-non-6-ynyl-2-oxidanyl-5-oxidanylidene-4-phenethylsulfanyl-cyclopent-3-en-1-yl)-6-oxidanyl-hexyl] ethanoate Openeye Name: [2-(acetoxymethyl)-6-hydroxy-6-(2-hydroxy-2-non-6-ynyl-5-oxo-4-phenethylsulfanyl-cyclopent-3-en-1-yl)hexyl] acetate CAS Name: acetic acid [2-(acetyloxymethyl)-6-hydroxy-6-[2-hydroxy-2-non-6-ynyl-5-oxo-4-(phenethylthio)-1-cyclopent-3-enyl]hexyl] ester IUPAC Name: [2-(acetyloxymethyl)-6-hydroxy-6-(2-hydroxy-2-non-6-ynyl-5-oxo-4-phenethylsulfanylcyclopent-3-en-1-yl)hexyl] acetate Traditional Name: acetic acid [2-(acetoxymethyl)-6-hydroxy-6-[2-hydroxy-5-keto-2-non-6-ynyl-4-(phenethylthio)cyclopent-3-en-1-yl]hexyl] ester Formula: C33H46O7S MolecularWeight: 586.77914

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCCCCCC1(C=C(C(=O)C1C(CCCC(COC(=O)C)COC(=O)C)O)SCCC2=CC=CC=C2)O

Isomeric SMILES

CCC#CCCCCCC1(C=C(C(=O)C1C(CCCC(COC(=O)C)COC(=O)C)O)SCCC2=CC=CC=C2)O

InChI

InChI=1S/C33H46O7S/c1-4-5-6-7-8-9-13-20-33(38)22-30(41-21-19-27-15-11-10-12-16-27)32(37)31(33)29(36)18-14-17-28(23-39-25(2)34)24-40-26(3)35/h10-12,15-16,22,28-29,31,36,38H,4,7-9,13-14,17-21,23-24H2,1-3H3