(4-prop-1-ynylphenyl) 4-butylbenzoate

Systemtic Name: (4-prop-1-ynylphenyl) 4-butylbenzoate Openeye Name: (4-prop-1-ynylphenyl) 4-butylbenzoate CAS Name: 4-butylbenzoic acid (4-prop-1-ynylphenyl) ester IUPAC Name: (4-prop-1-ynylphenyl) 4-butylbenzoate Traditional Name: 4-butylbenzoic acid (4-prop-1-ynylphenyl) ester Formula: C20H20O2 MolecularWeight: 292.3716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#CC

InChI

InChI=1S/C20H20O2/c1-3-5-7-17-8-12-18(13-9-17)20(21)22-19-14-10-16(6-4-2)11-15-19/h8-15H,3,5,7H2,1-2H3