methyl 7-[(5E)-3-chloranyl-5-[(E)-oct-2-enylidene]-4-oxidanylidene-cyclopent-2-en-1-yl]heptanoate

Systemtic Name: methyl 7-[(5E)-3-chloranyl-5-[(E)-oct-2-enylidene]-4-oxidanylidene-cyclopent-2-en-1-yl]heptanoate Openeye Name: methyl 7-[(5E)-3-chloro-5-[(E)-oct-2-enylidene]-4-oxo-cyclopent-2-en-1-yl]heptanoate CAS Name: 7-[(5E)-3-chloro-5-[(E)-oct-2-enylidene]-4-oxo-1-cyclopent-2-enyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[(5E)-3-chloro-5-[(E)-oct-2-enylidene]-4-oxocyclopent-2-en-1-yl]heptanoate Traditional Name: 7-[(5E)-3-chloro-4-keto-5-[(E)-oct-2-enylidene]cyclopent-2-en-1-yl]enanthic acid methyl ester Formula: C21H31ClO3 MolecularWeight: 366.92204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC=C1C(C=C(C1=O)Cl)CCCCCCC(=O)OC

Isomeric SMILES

CCCCC/C=C/C=C/1\C(C=C(C1=O)Cl)CCCCCCC(=O)OC

InChI

InChI=1S/C21H31ClO3/c1-3-4-5-6-7-11-14-18-17(16-19(22)21(18)24)13-10-8-9-12-15-20(23)25-2/h7,11,14,16-17H,3-6,8-10,12-13,15H2,1-2H3/b11-7+,18-14+