methyl 4-[(3E)-3-[4-methylsulfonyl-2-oxidanyl-5-oxidanylidene-2-(4-phenoxybutyl)cyclopent-3-en-1-ylidene]propyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[(3E)-3-[4-methylsulfonyl-2-oxidanyl-5-oxidanylidene-2-(4-phenoxybutyl)cyclopent-3-en-1-ylidene]propyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[(3E)-3-[2-hydroxy-4-methylsulfonyl-5-oxo-2-(4-phenoxybutyl)cyclopent-3-en-1-ylidene]propyl]cyclohexanecarboxylate CAS Name: 4-[(3E)-3-[2-hydroxy-4-methylsulfonyl-5-oxo-2-(4-phenoxybutyl)-1-cyclopent-3-enylidene]propyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[(3E)-3-[2-hydroxy-4-methylsulfonyl-5-oxo-2-(4-phenoxybutyl)cyclopent-3-en-1-ylidene]propyl]cyclohexane-1-carboxylate Traditional Name: 4-[(3E)-3-[2-hydroxy-5-keto-4-mesyl-2-(4-phenoxybutyl)cyclopent-3-en-1-ylidene]propyl]cyclohexanecarboxylic acid methyl ester Formula: C27H36O7S MolecularWeight: 504.63554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)CCC=C2C(=O)C(=CC2(CCCCOC3=CC=CC=C3)O)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1CCC(CC1)CC/C=C\2/C(=O)C(=CC2(CCCCOC3=CC=CC=C3)O)S(=O)(=O)C

InChI

InChI=1S/C27H36O7S/c1-33-26(29)21-15-13-20(14-16-21)9-8-12-23-25(28)24(35(2,31)32)19-27(23,30)17-6-7-18-34-22-10-4-3-5-11-22/h3-5,10-12,19-21,30H,6-9,13-18H2,1-2H3/b23-12-