4-[(9E)-heptadeca-1,9-dien-4,6-diyn-3-yl]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(9E)-heptadeca-1,9-dien-4,6-diyn-3-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-oxo-4-[(E)-1-vinylpentadec-7-en-2,4-diynoxy]butanoic acid CAS Name: 4-[(9E)-heptadeca-1,9-dien-4,6-diyn-3-yl]oxy-4-oxobutanoic acid IUPAC Name: 4-[(9E)-heptadeca-1,9-dien-4,6-diyn-3-yl]oxy-4-oxobutanoic acid Traditional Name: 4-keto-4-[(E)-1-vinylpentadec-7-en-2,4-diynoxy]butyric acid Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCC/C=C/CC#CC#CC(C=C)OC(=O)CCC(=O)O

InChI

InChI=1S/C21H28O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19(4-2)25-21(24)18-17-20(22)23/h4,10-11,19H,2-3,5-9,12,17-18H2,1H3,(H,22,23)/b11-10+