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sodium 2-[hexadecyl(methyl)carbamoyl]benzoate

sodium 2-[hexadecyl(methyl)carbamoyl]benzoate

Systemtic Name:sodium 2-[hexadecyl(methyl)carbamoyl]benzoate
Openeye Name:sodium 2-[hexadecyl(methyl)carbamoyl]benzoate
CAS Name:sodium 2-[[hexadecyl(methyl)amino]-oxomethyl]benzoate
IUPAC Name:sodium 2-[hexadecyl(methyl)carbamoyl]benzoate
Traditional Name:sodium 2-[cetyl(methyl)carbamoyl]benzoate
Formula: C25H40NNaO3
MolecularWeight: 425.57977
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C25H41NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-26(2)24(27)22-19-16-17-20-23(22)25(28)29;/h16-17,19-20H,3-15,18,21H2,1-2H3,(H,28,29);/q;+1/p-1


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