3-(4-phenylphenyl)hept-1-yn-3-yl ethanoate

Systemtic Name: 3-(4-phenylphenyl)hept-1-yn-3-yl ethanoate Openeye Name: [1-ethynyl-1-(4-phenylphenyl)pentyl] acetate CAS Name: acetic acid 3-(4-phenylphenyl)hept-1-yn-3-yl ester IUPAC Name: 3-(4-phenylphenyl)hept-1-yn-3-yl acetate Traditional Name: acetic acid [1-butyl-1-(4-phenylphenyl)prop-2-ynyl] ester Formula: C21H22O2 MolecularWeight: 306.39818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#C)(C1=CC=C(C=C1)C2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CCCCC(C#C)(C1=CC=C(C=C1)C2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C21H22O2/c1-4-6-16-21(5-2,23-17(3)22)20-14-12-19(13-15-20)18-10-8-7-9-11-18/h2,7-15H,4,6,16H2,1,3H3