7-(4-hexylphenyl)hept-5-ynoic acid

Systemtic Name: 7-(4-hexylphenyl)hept-5-ynoic acid Openeye Name: 7-(4-hexylphenyl)hept-5-ynoic acid CAS Name: 7-(4-hexylphenyl)-5-heptynoic acid IUPAC Name: 7-(4-hexylphenyl)hept-5-ynoic acid Traditional Name: 7-(4-hexylphenyl)hept-5-ynoic acid Formula: C19H26O2 MolecularWeight: 286.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)CC#CCCCC(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)CC#CCCCC(=O)O

InChI

InChI=1S/C19H26O2/c1-2-3-4-7-10-17-13-15-18(16-14-17)11-8-5-6-9-12-19(20)21/h13-16H,2-4,6-7,9-12H2,1H3,(H,20,21)