sodium (E)-2-(methylamino)-3-oxidanylidene-icos-11-enoic acid

Systemtic Name: sodium (E)-2-(methylamino)-3-oxidanylidene-icos-11-enoic acid Openeye Name: sodium (E)-2-(methylamino)-3-oxo-icos-11-enoic acid CAS Name: sodium (E)-2-(methylamino)-3-oxo-11-eicosenoic acid IUPAC Name: sodium (E)-2-(methylamino)-3-oxoicos-11-enoic acid Traditional Name: sodium (E)-3-keto-2-(methylamino)eicos-11-enoic acid Formula: C21H39NNaO3+ MolecularWeight: 376.52903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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