[(E)-tetradec-5-en-3-ynyl] benzoate

Systemtic Name: [(E)-tetradec-5-en-3-ynyl] benzoate Openeye Name: [(E)-tetradec-5-en-3-ynyl] benzoate CAS Name: benzoic acid [(E)-tetradec-5-en-3-ynyl] ester IUPAC Name: [(E)-tetradec-5-en-3-ynyl] benzoate Traditional Name: benzoic acid [(E)-tetradec-5-en-3-ynyl] ester Formula: C21H28O2 MolecularWeight: 312.44582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CC#CCCOC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCC/C=C/C#CCCOC(=O)C1=CC=CC=C1

InChI

InChI=1S/C21H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23-21(22)20-17-14-13-15-18-20/h9-10,13-15,17-18H,2-8,16,19H2,1H3/b10-9+