potassium (E)-3-carboxyhenicos-4-enoate

Systemtic Name: potassium (E)-3-carboxyhenicos-4-enoate Openeye Name: potassium (E)-3-carboxyhenicos-4-enoate CAS Name: potassium (E)-3-carboxy-4-heneicosenoate IUPAC Name: potassium (E)-3-carboxyhenicos-4-enoate Traditional Name: potassium (E)-3-carboxyheneicos-4-enoate Formula: C22H39KO4 MolecularWeight: 406.64096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=CC(CC(=O)[O-])C(=O)O.[K+]

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/C(CC(=O)[O-])C(=O)O.[K+]

InChI

InChI=1S/C22H40O4.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26)19-21(23)24;/h17-18,20H,2-16,19H2,1H3,(H,23,24)(H,25,26);/q;+1/p-1/b18-17+;