methyl 7-[2-oxidanylidene-5-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentyl]heptanoate

Systemtic Name: methyl 7-[2-oxidanylidene-5-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentyl]heptanoate Openeye Name: methyl 7-[2-oxo-5-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentyl]heptanoate CAS Name: 7-[2-oxo-5-[(E)-1-(phenylthio)oct-2-enyl]cyclopentyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[2-oxo-5-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentyl]heptanoate Traditional Name: 7-[2-keto-5-[(E)-1-(phenylthio)oct-2-enyl]cyclopentyl]enanthic acid methyl ester Formula: C27H40O3S MolecularWeight: 444.6697

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(C1CCC(=O)C1CCCCCCC(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C27H40O3S/c1-3-4-5-6-13-18-26(31-22-15-10-9-11-16-22)24-20-21-25(28)23(24)17-12-7-8-14-19-27(29)30-2/h9-11,13,15-16,18,23-24,26H,3-8,12,14,17,19-21H2,1-2H3/b18-13+