[(E)-4-oxidanyltetradec-2-en-5,8-diynyl] benzoate

Systemtic Name: [(E)-4-oxidanyltetradec-2-en-5,8-diynyl] benzoate Openeye Name: [(E)-4-hydroxytetradec-2-en-5,8-diynyl] benzoate CAS Name: benzoic acid [(E)-4-hydroxytetradec-2-en-5,8-diynyl] ester IUPAC Name: [(E)-4-hydroxytetradec-2-en-5,8-diynyl] benzoate Traditional Name: benzoic acid [(E)-4-hydroxytetradec-2-en-5,8-diynyl] ester Formula: C21H24O3 MolecularWeight: 324.41346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCC#CC(C=CCOC(=O)C1=CC=CC=C1)O

Isomeric SMILES

CCCCCC#CCC#CC(/C=C/COC(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C21H24O3/c1-2-3-4-5-6-7-8-12-16-20(22)17-13-18-24-21(23)19-14-10-9-11-15-19/h9-11,13-15,17,20,22H,2-5,8,18H2,1H3/b17-13+