[(E)-4-acetyloxy-7-[4-methylsulfanyl-2-oxidanyl-5-oxidanylidene-2-(4-phenoxybutyl)cyclopent-3-en-1-yl]-7-oxidanyl-hept-5-enyl] ethanoate

Systemtic Name: [(E)-4-acetyloxy-7-[4-methylsulfanyl-2-oxidanyl-5-oxidanylidene-2-(4-phenoxybutyl)cyclopent-3-en-1-yl]-7-oxidanyl-hept-5-enyl] ethanoate Openeye Name: [(E)-4-acetoxy-7-hydroxy-7-[2-hydroxy-4-methylsulfanyl-5-oxo-2-(4-phenoxybutyl)cyclopent-3-en-1-yl]hept-5-enyl] acetate CAS Name: acetic acid [(E)-4-acetyloxy-7-hydroxy-7-[2-hydroxy-4-(methylthio)-5-oxo-2-(4-phenoxybutyl)-1-cyclopent-3-enyl]hept-5-enyl] ester IUPAC Name: [(E)-4-acetyloxy-7-hydroxy-7-[2-hydroxy-4-methylsulfanyl-5-oxo-2-(4-phenoxybutyl)cyclopent-3-en-1-yl]hept-5-enyl] acetate Traditional Name: acetic acid [(E)-4-acetoxy-7-hydroxy-7-[2-hydroxy-5-keto-4-(methylthio)-2-(4-phenoxybutyl)cyclopent-3-en-1-yl]hept-5-enyl] ester Formula: C27H36O8S MolecularWeight: 520.63494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCC(C=CC(C1C(=O)C(=CC1(CCCCOC2=CC=CC=C2)O)SC)O)OC(=O)C

Isomeric SMILES

CC(=O)OCCCC(/C=C/C(C1C(=O)C(=CC1(CCCCOC2=CC=CC=C2)O)SC)O)OC(=O)C

InChI

InChI=1S/C27H36O8S/c1-19(28)33-17-9-12-22(35-20(2)29)13-14-23(30)25-26(31)24(36-3)18-27(25,32)15-7-8-16-34-21-10-5-4-6-11-21/h4-6,10-11,13-14,18,22-23,25,30,32H,7-9,12,15-17H2,1-3H3/b14-13+