potassium; (9Z,12Z)-octadeca-9,12-dienoic acid; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: potassium; (9Z,12Z)-octadeca-9,12-dienoic acid; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: potassium; (E)-4-hydroxy-4-oxo-but-2-enoate; (9Z,12Z)-octadeca-9,12-dienoic acid CAS Name: potassium; (E)-4-hydroxy-4-oxo-2-butenoate; (9Z,12Z)-octadeca-9,12-dienoic acid IUPAC Name: potassium; (E)-4-hydroxy-4-oxobut-2-enoate; (9Z,12Z)-octadeca-9,12-dienoic acid Traditional Name: potassium; (E)-4-hydroxy-4-keto-but-2-enoate; (9Z,12Z)-octadeca-9,12-dienoic acid Formula: C22H35KO6 MolecularWeight: 434.608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)O.C(=CC(=O)[O-])C(=O)O.[K+]

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C(=C/C(=O)[O-])\C(=O)O.[K+]

InChI

InChI=1S/C18H32O2.C4H4O4.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;5-3(6)1-2-4(7)8;/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);1-2H,(H,5,6)(H,7,8);/q;;+1/p-1/b7-6-,10-9-;2-1+;