methyl (7E)-7-(4-chloranyl-2-octyl-2-oxidanyl-5-oxidanylidene-cyclopent-3-en-1-ylidene)heptanoate

Systemtic Name: methyl (7E)-7-(4-chloranyl-2-octyl-2-oxidanyl-5-oxidanylidene-cyclopent-3-en-1-ylidene)heptanoate Openeye Name: methyl (7E)-7-(4-chloro-2-hydroxy-2-octyl-5-oxo-cyclopent-3-en-1-ylidene)heptanoate CAS Name: (7E)-7-(4-chloro-2-hydroxy-2-octyl-5-oxo-1-cyclopent-3-enylidene)heptanoic acid methyl ester IUPAC Name: methyl (7E)-7-(4-chloro-2-hydroxy-2-octyl-5-oxocyclopent-3-en-1-ylidene)heptanoate Traditional Name: (7E)-7-(4-chloro-2-hydroxy-5-keto-2-octyl-cyclopent-3-en-1-ylidene)enanthic acid methyl ester Formula: C21H33ClO4 MolecularWeight: 384.93732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C=C(C(=O)C1=CCCCCCC(=O)OC)Cl)O

Isomeric SMILES

CCCCCCCCC\1(C=C(C(=O)/C1=C/CCCCCC(=O)OC)Cl)O

InChI

InChI=1S/C21H33ClO4/c1-3-4-5-6-9-12-15-21(25)16-18(22)20(24)17(21)13-10-7-8-11-14-19(23)26-2/h13,16,25H,3-12,14-15H2,1-2H3/b17-13-