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

Systemtic Name: ethyl 7-[2-oxidanylidene-5-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentyl]heptanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C28H42O3S MolecularWeight: 458.69628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42O3S/c1-3-5-6-7-14-19-27(32-23-16-11-10-12-17-23)25-21-22-26(29)24(25)18-13-8-9-15-20-28(30)31-4-2/h10-12,14,16-17,19,24-25,27H,3-9,13,15,18,20-22H2,1-2H3/b19-14+