sodium 2-[[(E)-octadec-9-enoyl]amino]pentanedioic acid

Systemtic Name: sodium 2-[[(E)-octadec-9-enoyl]amino]pentanedioic acid Openeye Name: sodium 2-[[(E)-octadec-9-enoyl]amino]pentanedioic acid CAS Name: sodium 2-[[(E)-1-oxooctadec-9-enyl]amino]pentanedioic acid IUPAC Name: sodium 2-[[(E)-octadec-9-enoyl]amino]pentanedioic acid Traditional Name: sodium 2-[[(E)-octadec-9-enoyl]amino]glutaric acid Formula: C23H41NNaO5+ MolecularWeight: 434.56511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(CCC(=O)O)C(=O)O.[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(CCC(=O)O)C(=O)O.[Na+]

InChI

InChI=1S/C23H41NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;/h9-10,20H,2-8,11-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);/q;+1/b10-9+;