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sodium 2-(octadecylcarbamoyl)benzoate

sodium 2-(octadecylcarbamoyl)benzoate

Systemtic Name:sodium 2-(octadecylcarbamoyl)benzoate
Openeye Name:sodium 2-(octadecylcarbamoyl)benzoate
CAS Name:sodium 2-[(octadecylamino)-oxomethyl]benzoate
IUPAC Name:sodium 2-(octadecylcarbamoyl)benzoate
Traditional Name:sodium 2-(stearylcarbamoyl)benzoate
Formula: C26H42NNaO3
MolecularWeight: 439.60635
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C26H43NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-25(28)23-20-17-18-21-24(23)26(29)30;/h17-18,20-21H,2-16,19,22H2,1H3,(H,27,28)(H,29,30);/q;+1/p-1


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