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

Systemtic Name: ethyl (9E)-9-[2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]-3-phenylsulfanyl-cyclopent-3-en-1-ylidene]nonanoate Openeye Name: ethyl (9E)-9-[5-[(E)-3-hydroxyoct-1-enyl]-2-oxo-3-phenylsulfanyl-cyclopent-3-en-1-ylidene]nonanoate CAS Name: (9E)-9-[5-[(E)-3-hydroxyoct-1-enyl]-2-oxo-3-(phenylthio)-1-cyclopent-3-enylidene]nonanoic acid ethyl ester IUPAC Name: ethyl (9E)-9-[5-[(E)-3-hydroxyoct-1-enyl]-2-oxo-3-phenylsulfanylcyclopent-3-en-1-ylidene]nonanoate Traditional Name: (9E)-9-[5-[(E)-3-hydroxyoct-1-enyl]-2-keto-3-(phenylthio)cyclopent-3-en-1-ylidene]pelargonic acid ethyl ester Formula: C30H42O4S MolecularWeight: 498.71708

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)O

Isomeric SMILES

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

InChI

InChI=1S/C30H42O4S/c1-3-5-11-16-25(31)22-21-24-23-28(35-26-17-12-10-13-18-26)30(33)27(24)19-14-8-6-7-9-15-20-29(32)34-4-2/h10,12-13,17-19,21-25,31H,3-9,11,14-16,20H2,1-2H3/b22-21+,27-19+