methyl 7-[2-oxidanylidene-5-[(E)-3-oxidanyl-2-phenyl-oct-1-enyl]cyclopentyl]heptanoate

Systemtic Name: methyl 7-[2-oxidanylidene-5-[(E)-3-oxidanyl-2-phenyl-oct-1-enyl]cyclopentyl]heptanoate Openeye Name: methyl 7-[2-[(E)-3-hydroxy-2-phenyl-oct-1-enyl]-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[(E)-3-hydroxy-2-phenyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[2-[(E)-3-hydroxy-2-phenyloct-1-enyl]-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[(E)-3-hydroxy-2-phenyl-oct-1-enyl]-5-keto-cyclopentyl]enanthic acid methyl ester Formula: C27H40O4 MolecularWeight: 428.6041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=CC1CCC(=O)C1CCCCCCC(=O)OC)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCC(/C(=C/C1CCC(=O)C1CCCCCCC(=O)OC)/C2=CC=CC=C2)O

InChI

InChI=1S/C27H40O4/c1-3-4-8-16-25(28)24(21-13-9-7-10-14-21)20-22-18-19-26(29)23(22)15-11-5-6-12-17-27(30)31-2/h7,9-10,13-14,20,22-23,25,28H,3-6,8,11-12,15-19H2,1-2H3/b24-20+