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

Systemtic Name: [(6E)-2-(acetyloxymethyl)-6-(2-non-6-ynyl-2-oxidanyl-5-oxidanylidene-4-phenethylsulfanyl-cyclopent-3-en-1-ylidene)hexyl] ethanoate Openeye Name: [(6E)-2-(acetoxymethyl)-6-(2-hydroxy-2-non-6-ynyl-5-oxo-4-phenethylsulfanyl-cyclopent-3-en-1-ylidene)hexyl] acetate CAS Name: acetic acid [(6E)-2-(acetyloxymethyl)-6-[2-hydroxy-2-non-6-ynyl-5-oxo-4-(phenethylthio)-1-cyclopent-3-enylidene]hexyl] ester IUPAC Name: [(6E)-2-(acetyloxymethyl)-6-(2-hydroxy-2-non-6-ynyl-5-oxo-4-phenethylsulfanylcyclopent-3-en-1-ylidene)hexyl] acetate Traditional Name: acetic acid [(6E)-2-(acetoxymethyl)-6-[2-hydroxy-5-keto-2-non-6-ynyl-4-(phenethylthio)cyclopent-3-en-1-ylidene]hexyl] ester Formula: C33H44O6S MolecularWeight: 568.76386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC#CCCCCCC1(C=C(C(=O)C1=CCCCC(COC(=O)C)COC(=O)C)SCCC2=CC=CC=C2)O

Isomeric SMILES

CCC#CCCCCCC\1(C=C(C(=O)/C1=C/CCCC(COC(=O)C)COC(=O)C)SCCC2=CC=CC=C2)O

InChI

InChI=1S/C33H44O6S/c1-4-5-6-7-8-9-15-21-33(37)23-31(40-22-20-28-16-11-10-12-17-28)32(36)30(33)19-14-13-18-29(24-38-26(2)34)25-39-27(3)35/h10-12,16-17,19,23,29,37H,4,7-9,13-15,18,20-22,24-25H2,1-3H3/b30-19-