[2-(1-oxidanylnonyl)phenyl] 5-oxidanylhept-6-ynoate

Systemtic Name: [2-(1-oxidanylnonyl)phenyl] 5-oxidanylhept-6-ynoate Openeye Name: [2-(1-hydroxynonyl)phenyl] 5-hydroxyhept-6-ynoate CAS Name: 5-hydroxy-6-heptynoic acid [2-(1-hydroxynonyl)phenyl] ester IUPAC Name: [2-(1-hydroxynonyl)phenyl] 5-hydroxyhept-6-ynoate Traditional Name: 5-hydroxyhept-6-ynoic acid [2-(1-hydroxynonyl)phenyl] ester Formula: C22H32O4 MolecularWeight: 360.48708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C1=CC=CC=C1OC(=O)CCCC(C#C)O)O

Isomeric SMILES

CCCCCCCCC(C1=CC=CC=C1OC(=O)CCCC(C#C)O)O

InChI

InChI=1S/C22H32O4/c1-3-5-6-7-8-9-15-20(24)19-14-10-11-16-21(19)26-22(25)17-12-13-18(23)4-2/h2,10-11,14,16,18,20,23-24H,3,5-9,12-13,15,17H2,1H3