(E)-6-oxidanylicos-7-en-9-ynedioic acid

Systemtic Name: (E)-6-oxidanylicos-7-en-9-ynedioic acid Openeye Name: (E)-6-hydroxyicos-7-en-9-ynedioic acid CAS Name: (E)-6-hydroxyeicos-7-en-9-ynedioic acid IUPAC Name: (E)-6-hydroxyicos-7-en-9-ynedioic acid Traditional Name: (E)-6-hydroxyeicos-7-en-9-ynedioic acid Formula: C20H32O5 MolecularWeight: 352.46508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C(CCCCC#C/C=C/C(CCCCC(=O)O)O)CCCCC(=O)O

InChI

InChI=1S/C20H32O5/c21-18(15-12-13-17-20(24)25)14-10-8-6-4-2-1-3-5-7-9-11-16-19(22)23/h10,14,18,21H,1-5,7,9,11-13,15-17H2,(H,22,23)(H,24,25)/b14-10+