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

Systemtic Name: sodium 2-[[(E)-octadec-9-enoyl]amino]propanoic acid Openeye Name: sodium 2-[[(E)-octadec-9-enoyl]amino]propanoic acid CAS Name: sodium 2-[[(E)-1-oxooctadec-9-enyl]amino]propanoic acid IUPAC Name: sodium 2-[[(E)-octadec-9-enoyl]amino]propanoic acid Traditional Name: sodium 2-[[(E)-octadec-9-enoyl]amino]propionic acid Formula: C21H39NNaO3+ MolecularWeight: 376.52903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H39NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22-19(2)21(24)25;/h10-11,19H,3-9,12-18H2,1-2H3,(H,22,23)(H,24,25);/q;+1/b11-10+;