methyl (7E)-7-(2-butyl-5-oxidanylidene-cyclopent-3-en-1-ylidene)hept-5-ynoate

Systemtic Name: methyl (7E)-7-(2-butyl-5-oxidanylidene-cyclopent-3-en-1-ylidene)hept-5-ynoate Openeye Name: methyl (7E)-7-(2-butyl-5-oxo-cyclopent-3-en-1-ylidene)hept-5-ynoate CAS Name: (7E)-7-(2-butyl-5-oxo-1-cyclopent-3-enylidene)-5-heptynoic acid methyl ester IUPAC Name: methyl (7E)-7-(2-butyl-5-oxocyclopent-3-en-1-ylidene)hept-5-ynoate Traditional Name: (7E)-7-(2-butyl-5-keto-cyclopent-3-en-1-ylidene)hept-5-ynoic acid methyl ester Formula: C17H22O3 MolecularWeight: 274.35478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C=CC(=O)C1=CC#CCCCC(=O)OC

Isomeric SMILES

CCCCC\1C=CC(=O)/C1=C/C#CCCCC(=O)OC

InChI

InChI=1S/C17H22O3/c1-3-4-9-14-12-13-16(18)15(14)10-7-5-6-8-11-17(19)20-2/h10,12-14H,3-4,6,8-9,11H2,1-2H3/b15-10+