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2-(hexadecylsulfanylmethyl)-3H-benzimidazole-5-sulfonic acid

2-(hexadecylsulfanylmethyl)-3H-benzimidazole-5-sulfonic acid

Systemtic Name:2-(hexadecylsulfanylmethyl)-3H-benzimidazole-5-sulfonic acid
Openeye Name:2-(hexadecylsulfanylmethyl)-3H-benzimidazole-5-sulfonic acid
CAS Name:2-[(hexadecylthio)methyl]-3H-benzimidazole-5-sulfonic acid
IUPAC Name:2-(hexadecylsulfanylmethyl)-3H-benzimidazole-5-sulfonic acid
Traditional Name:2-[(cetylthio)methyl]-3H-benzimidazole-5-sulfonic acid
Formula: C24H40N2O3S2
MolecularWeight: 468.716
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCSCC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O


InChI

InChI=1S/C24H40N2O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-30-20-24-25-22-17-16-21(31(27,28)29)19-23(22)26-24/h16-17,19H,2-15,18,20H2,1H3,(H,25,26)(H,27,28,29)


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