methyl 7-[2-[(E)-4-methyl-1-phenylsulfanyl-oct-2-enyl]-5-oxidanylidene-cyclopentyl]heptanoate

Systemtic Name: methyl 7-[2-[(E)-4-methyl-1-phenylsulfanyl-oct-2-enyl]-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: methyl 7-[2-[(E)-4-methyl-1-phenylsulfanyl-oct-2-enyl]-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[(E)-4-methyl-1-(phenylthio)oct-2-enyl]-5-oxocyclopentyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[2-[(E)-4-methyl-1-phenylsulfanyloct-2-enyl]-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-keto-5-[(E)-4-methyl-1-(phenylthio)oct-2-enyl]cyclopentyl]enanthic acid methyl ester Formula: C28H42O3S MolecularWeight: 458.69628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C=CC(C1CCC(=O)C1CCCCCCC(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

CCCCC(C)/C=C/C(C1CCC(=O)C1CCCCCCC(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C28H42O3S/c1-4-5-13-22(2)18-21-27(32-23-14-9-8-10-15-23)25-19-20-26(29)24(25)16-11-6-7-12-17-28(30)31-3/h8-10,14-15,18,21-22,24-25,27H,4-7,11-13,16-17,19-20H2,1-3H3/b21-18+