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sodium 4-(octadecanoylcarbamoyl)benzoate

sodium 4-(octadecanoylcarbamoyl)benzoate

Systemtic Name:sodium 4-(octadecanoylcarbamoyl)benzoate
Openeye Name:sodium 4-(octadecanoylcarbamoyl)benzoate
CAS Name:sodium 4-[oxo-(1-oxooctadecylamino)methyl]benzoate
IUPAC Name:sodium 4-(octadecanoylcarbamoyl)benzoate
Traditional Name:sodium 4-(stearoylcarbamoyl)benzoate
Formula: C26H40NNaO4
MolecularWeight: 453.58987
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(=O)C1=CC=C(C=C1)C(=O)[O-].[Na+]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(=O)C1=CC=C(C=C1)C(=O)[O-].[Na+]


InChI

InChI=1S/C26H41NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)27-25(29)22-18-20-23(21-19-22)26(30)31;/h18-21H,2-17H2,1H3,(H,30,31)(H,27,28,29);/q;+1/p-1


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