methyl (7E)-7-(2-butyl-3-oxidanyl-5-oxidanylidene-cyclopentylidene)hept-5-ynoate

Systemtic Name: methyl (7E)-7-(2-butyl-3-oxidanyl-5-oxidanylidene-cyclopentylidene)hept-5-ynoate Openeye Name: methyl (7E)-7-(2-butyl-3-hydroxy-5-oxo-cyclopentylidene)hept-5-ynoate CAS Name: (7E)-7-(2-butyl-3-hydroxy-5-oxocyclopentylidene)-5-heptynoic acid methyl ester IUPAC Name: methyl (7E)-7-(2-butyl-3-hydroxy-5-oxocyclopentylidene)hept-5-ynoate Traditional Name: (7E)-7-(2-butyl-3-hydroxy-5-keto-cyclopentylidene)hept-5-ynoic acid methyl ester Formula: C17H24O4 MolecularWeight: 292.37006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O4/c1-3-4-9-13-14(16(19)12-15(13)18)10-7-5-6-8-11-17(20)21-2/h10,13,15,18H,3-4,6,8-9,11-12H2,1-2H3/b14-10+