sodium 2-[[(Z)-3-oxidanylideneicos-11-enyl]carbamoyl]benzoate

Systemtic Name: sodium 2-[[(Z)-3-oxidanylideneicos-11-enyl]carbamoyl]benzoate Openeye Name: sodium 2-[[(Z)-3-oxoicos-11-enyl]carbamoyl]benzoate CAS Name: sodium 2-[oxo-[[(Z)-3-oxoeicos-11-enyl]amino]methyl]benzoate IUPAC Name: sodium 2-[[(Z)-3-oxoicos-11-enyl]carbamoyl]benzoate Traditional Name: sodium 2-[[(Z)-3-ketoeicos-11-enyl]carbamoyl]benzoate Formula: C28H42NNaO4 MolecularWeight: 479.62715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H43NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(30)22-23-29-27(31)25-20-17-18-21-26(25)28(32)33;/h9-10,17-18,20-21H,2-8,11-16,19,22-23H2,1H3,(H,29,31)(H,32,33);/q;+1/p-1/b10-9-;