ethyl (9E)-9-[5-[(E)-3-(oxan-2-yloxy)oct-1-enyl]-2-oxidanylidene-3-phenylsulfanyl-cyclopent-3-en-1-ylidene]nonanoate

Systemtic Name: ethyl (9E)-9-[5-[(E)-3-(oxan-2-yloxy)oct-1-enyl]-2-oxidanylidene-3-phenylsulfanyl-cyclopent-3-en-1-ylidene]nonanoate Openeye Name: ethyl (9E)-9-[2-oxo-3-phenylsulfanyl-5-[(E)-3-tetrahydropyran-2-yloxyoct-1-enyl]cyclopent-3-en-1-ylidene]nonanoate CAS Name: (9E)-9-[5-[(E)-3-(2-oxanyloxy)oct-1-enyl]-2-oxo-3-(phenylthio)-1-cyclopent-3-enylidene]nonanoic acid ethyl ester IUPAC Name: ethyl (9E)-9-[5-[(E)-3-(oxan-2-yloxy)oct-1-enyl]-2-oxo-3-phenylsulfanylcyclopent-3-en-1-ylidene]nonanoate Traditional Name: (9E)-9-[2-keto-3-(phenylthio)-5-[(E)-3-tetrahydropyran-2-yloxyoct-1-enyl]cyclopent-3-en-1-ylidene]pelargonic acid ethyl ester Formula: C35H50O5S MolecularWeight: 582.8335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C=C(C(=O)C1=CCCCCCCCC(=O)OCC)SC2=CC=CC=C2)OC3CCCCO3

Isomeric SMILES

CCCCCC(/C=C/C\1C=C(C(=O)/C1=C/CCCCCCCC(=O)OCC)SC2=CC=CC=C2)OC3CCCCO3

InChI

InChI=1S/C35H50O5S/c1-3-5-11-18-29(40-34-23-16-17-26-39-34)25-24-28-27-32(41-30-19-12-10-13-20-30)35(37)31(28)21-14-8-6-7-9-15-22-33(36)38-4-2/h10,12-13,19-21,24-25,27-29,34H,3-9,11,14-18,22-23,26H2,1-2H3/b25-24+,31-21+