ethyl 4-(4-oct-1-ynylphenyl)benzoate

Systemtic Name: ethyl 4-(4-oct-1-ynylphenyl)benzoate Openeye Name: ethyl 4-(4-oct-1-ynylphenyl)benzoate CAS Name: 4-(4-oct-1-ynylphenyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-oct-1-ynylphenyl)benzoate Traditional Name: 4-(4-oct-1-ynylphenyl)benzoic acid ethyl ester Formula: C23H26O2 MolecularWeight: 334.45134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCCCC#CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C23H26O2/c1-3-5-6-7-8-9-10-19-11-13-20(14-12-19)21-15-17-22(18-16-21)23(24)25-4-2/h11-18H,3-8H2,1-2H3