sodium 2-[2-[[(E)-octadec-9-enoyl]amino]ethoxycarbonyl]benzoate

Systemtic Name: sodium 2-[2-[[(E)-octadec-9-enoyl]amino]ethoxycarbonyl]benzoate Openeye Name: sodium 2-[2-[[(E)-octadec-9-enoyl]amino]ethoxycarbonyl]benzoate CAS Name: sodium 2-[oxo-[2-[[(E)-1-oxooctadec-9-enyl]amino]ethoxy]methyl]benzoate IUPAC Name: sodium 2-[2-[[(E)-octadec-9-enoyl]amino]ethoxycarbonyl]benzoate Traditional Name: sodium 2-[2-[[(E)-octadec-9-enoyl]amino]ethoxycarbonyl]benzoate Formula: C28H42NNaO5 MolecularWeight: 495.62655

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCCOC(=O)C1=CC=CC=C1C(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NCCOC(=O)C1=CC=CC=C1C(=O)[O-].[Na+]

InChI

InChI=1S/C28H43NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26(30)29-22-23-34-28(33)25-20-18-17-19-24(25)27(31)32;/h9-10,17-20H,2-8,11-16,21-23H2,1H3,(H,29,30)(H,31,32);/q;+1/p-1/b10-9+;