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sodium 2-heptadecyl-3-methyl-benzimidazole-4-sulfonate

sodium 2-heptadecyl-3-methyl-benzimidazole-4-sulfonate

Systemtic Name:sodium 2-heptadecyl-3-methyl-benzimidazole-4-sulfonate
Openeye Name:sodium 2-heptadecyl-3-methyl-benzimidazole-4-sulfonate
CAS Name:sodium 2-heptadecyl-3-methyl-4-benzimidazolesulfonate
IUPAC Name:sodium 2-heptadecyl-3-methylbenzimidazole-4-sulfonate
Traditional Name:sodium 2-heptadecyl-3-methyl-benzimidazole-4-sulfonate
Formula: C25H41N2NaO3S
MolecularWeight: 472.65941
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NC2=C(N1C)C(=CC=C2)S(=O)(=O)[O-].[Na+]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NC2=C(N1C)C(=CC=C2)S(=O)(=O)[O-].[Na+]


InChI

InChI=1S/C25H42N2O3S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26-22-19-18-20-23(31(28,29)30)25(22)27(24)2;/h18-20H,3-17,21H2,1-2H3,(H,28,29,30);/q;+1/p-1


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