methyl 7-(4-octylphenyl)hept-5-ynoate

Systemtic Name: methyl 7-(4-octylphenyl)hept-5-ynoate Openeye Name: methyl 7-(4-octylphenyl)hept-5-ynoate CAS Name: 7-(4-octylphenyl)-5-heptynoic acid methyl ester IUPAC Name: methyl 7-(4-octylphenyl)hept-5-ynoate Traditional Name: 7-(4-octylphenyl)hept-5-ynoic acid methyl ester Formula: C22H32O2 MolecularWeight: 328.48828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CC#CCCCC(=O)OC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CC#CCCCC(=O)OC

InChI

InChI=1S/C22H32O2/c1-3-4-5-6-7-10-13-20-16-18-21(19-17-20)14-11-8-9-12-15-22(23)24-2/h16-19H,3-7,9-10,12-15H2,1-2H3