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disodium 4-heptadecyl-1-[(3-sulfonatophenyl)methyl]benzimidazole-2-sulfonate

disodium 4-heptadecyl-1-[(3-sulfonatophenyl)methyl]benzimidazole-2-sulfonate

Systemtic Name:disodium 4-heptadecyl-1-[(3-sulfonatophenyl)methyl]benzimidazole-2-sulfonate
Openeye Name:disodium 4-heptadecyl-1-[(3-sulfonatophenyl)methyl]benzimidazole-2-sulfonate
CAS Name:disodium 4-heptadecyl-1-[(3-sulfonatophenyl)methyl]-2-benzimidazolesulfonate
IUPAC Name:disodium 4-heptadecyl-1-[(3-sulfonatophenyl)methyl]benzimidazole-2-sulfonate
Traditional Name:disodium 4-heptadecyl-1-(3-sulfonatobenzyl)benzimidazole-2-sulfonate
Formula: C31H44N2Na2O6S2
MolecularWeight: 650.8004
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=C2C(=CC=C1)N(C(=N2)S(=O)(=O)[O-])CC3=CC(=CC=C3)S(=O)(=O)[O-].[Na+].[Na+]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=C2C(=CC=C1)N(C(=N2)S(=O)(=O)[O-])CC3=CC(=CC=C3)S(=O)(=O)[O-].[Na+].[Na+]


InChI

InChI=1S/C31H46N2O6S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-21-18-23-29-30(27)32-31(41(37,38)39)33(29)25-26-19-17-22-28(24-26)40(34,35)36;;/h17-19,21-24H,2-16,20,25H2,1H3,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2


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