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

Systemtic Name: ethyl (9E)-9-[2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]-3-(phenylsulfonyl)cyclopent-3-en-1-ylidene]nonanoate Openeye Name: ethyl (9E)-9-[3-(benzenesulfonyl)-5-[(E)-3-hydroxyoct-1-enyl]-2-oxo-cyclopent-3-en-1-ylidene]nonanoate CAS Name: (9E)-9-[3-(benzenesulfonyl)-5-[(E)-3-hydroxyoct-1-enyl]-2-oxo-1-cyclopent-3-enylidene]nonanoic acid ethyl ester IUPAC Name: ethyl (9E)-9-[3-(benzenesulfonyl)-5-[(E)-3-hydroxyoct-1-enyl]-2-oxocyclopent-3-en-1-ylidene]nonanoate Traditional Name: (9E)-9-[3-besyl-5-[(E)-3-hydroxyoct-1-enyl]-2-keto-cyclopent-3-en-1-ylidene]pelargonic acid ethyl ester Formula: C30H42O6S MolecularWeight: 530.71588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42O6S/c1-3-5-11-16-25(31)22-21-24-23-28(37(34,35)26-17-12-10-13-18-26)30(33)27(24)19-14-8-6-7-9-15-20-29(32)36-4-2/h10,12-13,17-19,21-25,31H,3-9,11,14-16,20H2,1-2H3/b22-21+,27-19+