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

Systemtic Name: [(E,7Z)-4-acetyloxy-7-[2-acetyloxy-4-methylsulfanyl-5-oxidanylidene-2-(4-phenoxybutyl)cyclopent-3-en-1-ylidene]hept-5-enyl] ethanoate Openeye Name: [(E,7Z)-4-acetoxy-7-[2-acetoxy-4-methylsulfanyl-5-oxo-2-(4-phenoxybutyl)cyclopent-3-en-1-ylidene]hept-5-enyl] acetate CAS Name: acetic acid [(E,7Z)-4-acetyloxy-7-[2-acetyloxy-4-(methylthio)-5-oxo-2-(4-phenoxybutyl)-1-cyclopent-3-enylidene]hept-5-enyl] ester IUPAC Name: [(E,7Z)-4-acetyloxy-7-[2-acetyloxy-4-methylsulfanyl-5-oxo-2-(4-phenoxybutyl)cyclopent-3-en-1-ylidene]hept-5-enyl] acetate Traditional Name: acetic acid [(E,7Z)-4-acetoxy-7-[2-acetoxy-5-keto-4-(methylthio)-2-(4-phenoxybutyl)cyclopent-3-en-1-ylidene]hept-5-enyl] ester Formula: C29H36O8S MolecularWeight: 544.65634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)OCCCC(/C=C/C=C/1\C(=O)C(=CC1(CCCCOC2=CC=CC=C2)OC(=O)C)SC)OC(=O)C

InChI

InChI=1S/C29H36O8S/c1-21(30)34-19-11-15-25(36-22(2)31)14-10-16-26-28(33)27(38-4)20-29(26,37-23(3)32)17-8-9-18-35-24-12-6-5-7-13-24/h5-7,10,12-14,16,20,25H,8-9,11,15,17-19H2,1-4H3/b14-10+,26-16+