methyl 8-[(5E)-1-oxidanyl-4-oxidanylidene-5-pent-2-ynylidene-cyclopent-2-en-1-yl]octanoate

Systemtic Name: methyl 8-[(5E)-1-oxidanyl-4-oxidanylidene-5-pent-2-ynylidene-cyclopent-2-en-1-yl]octanoate Openeye Name: methyl 8-[(5E)-1-hydroxy-4-oxo-5-pent-2-ynylidene-cyclopent-2-en-1-yl]octanoate CAS Name: 8-[(5E)-1-hydroxy-4-oxo-5-pent-2-ynylidene-1-cyclopent-2-enyl]octanoic acid methyl ester IUPAC Name: methyl 8-[(5E)-1-hydroxy-4-oxo-5-pent-2-ynylidenecyclopent-2-en-1-yl]octanoate Traditional Name: 8-[(5E)-1-hydroxy-4-keto-5-pent-2-ynylidene-cyclopent-2-en-1-yl]caprylic acid methyl ester Formula: C19H26O4 MolecularWeight: 318.40734

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC=C1C(=O)C=CC1(CCCCCCCC(=O)OC)O

Isomeric SMILES

CCC#C/C=C\1/C(=O)C=CC1(CCCCCCCC(=O)OC)O

InChI

InChI=1S/C19H26O4/c1-3-4-8-11-16-17(20)13-15-19(16,22)14-10-7-5-6-9-12-18(21)23-2/h11,13,15,22H,3,5-7,9-10,12,14H2,1-2H3/b16-11-