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sodium 3,4-dicarboxy-3-oxidanyl-icosanoate

sodium 3,4-dicarboxy-3-oxidanyl-icosanoate

Systemtic Name:sodium 3,4-dicarboxy-3-oxidanyl-icosanoate
Openeye Name:sodium 3,4-dicarboxy-3-hydroxy-icosanoate
CAS Name:sodium 3,4-dicarboxy-3-hydroxyeicosanoate
IUPAC Name:sodium 3,4-dicarboxy-3-hydroxyicosanoate
Traditional Name:sodium 3,4-dicarboxy-3-hydroxy-arachidate
Formula: C22H39NaO7
MolecularWeight: 438.53063
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H40O7.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(25)26)22(29,21(27)28)17-19(23)24;/h18,29H,2-17H2,1H3,(H,23,24)(H,25,26)(H,27,28);/q;+1/p-1


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