7-[4-(undecoxymethyl)phenyl]hept-5-ynoic acid

Systemtic Name: 7-[4-(undecoxymethyl)phenyl]hept-5-ynoic acid Openeye Name: 7-[4-(undecoxymethyl)phenyl]hept-5-ynoic acid CAS Name: 7-[4-(undecoxymethyl)phenyl]-5-heptynoic acid IUPAC Name: 7-[4-(undecoxymethyl)phenyl]hept-5-ynoic acid Traditional Name: 7-[4-(undecoxymethyl)phenyl]hept-5-ynoic acid Formula: C25H38O3 MolecularWeight: 386.56742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOCC1=CC=C(C=C1)CC#CCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCOCC1=CC=C(C=C1)CC#CCCCC(=O)O

InChI

InChI=1S/C25H38O3/c1-2-3-4-5-6-7-8-11-14-21-28-22-24-19-17-23(18-20-24)15-12-9-10-13-16-25(26)27/h17-20H,2-8,10-11,13-16,21-22H2,1H3,(H,26,27)