sodium (Z)-3-carboxyhenicos-2-enoate

Systemtic Name: sodium (Z)-3-carboxyhenicos-2-enoate Openeye Name: sodium (Z)-3-carboxyhenicos-2-enoate CAS Name: sodium (Z)-3-carboxy-2-heneicosenoate IUPAC Name: sodium (Z)-3-carboxyhenicos-2-enoate Traditional Name: sodium (Z)-3-carboxyheneicos-2-enoate Formula: C22H39NaO4 MolecularWeight: 390.53243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(=CC(=O)[O-])C(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC/C(=C/C(=O)[O-])/C(=O)O.[Na+]

InChI

InChI=1S/C22H40O4.Na/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;/h19H,2-18H2,1H3,(H,23,24)(H,25,26);/q;+1/p-1/b20-19-;