6-(6-methoxy-6-oxidanylidene-hexoxy)icos-7-ynoic acid

Systemtic Name: 6-(6-methoxy-6-oxidanylidene-hexoxy)icos-7-ynoic acid Openeye Name: 6-(6-methoxy-6-oxo-hexoxy)icos-7-ynoic acid CAS Name: 6-(6-methoxy-6-oxohexoxy)-7-eicosynoic acid IUPAC Name: 6-(6-methoxy-6-oxohexoxy)icos-7-ynoic acid Traditional Name: 6-(6-keto-6-methoxy-hexoxy)eicos-7-ynoic acid Formula: C27H48O5 MolecularWeight: 452.66702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CC(CCCCC(=O)O)OCCCCCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCC#CC(CCCCC(=O)O)OCCCCCC(=O)OC

InChI

InChI=1S/C27H48O5/c1-3-4-5-6-7-8-9-10-11-12-13-15-20-25(21-17-18-22-26(28)29)32-24-19-14-16-23-27(30)31-2/h25H,3-14,16-19,21-24H2,1-2H3,(H,28,29)