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2-heptadecylbenzimidazole-2,4-disulfonic acid

2-heptadecylbenzimidazole-2,4-disulfonic acid

Systemtic Name:2-heptadecylbenzimidazole-2,4-disulfonic acid
Openeye Name:2-heptadecylbenzimidazole-2,4-disulfonic acid
CAS Name:2-heptadecylbenzimidazole-2,4-disulfonic acid
IUPAC Name:2-heptadecylbenzimidazole-2,4-disulfonic acid
Traditional Name:2-heptadecylbenzimidazole-2,4-disulfonic acid
Formula: C24H40N2O6S2
MolecularWeight: 516.7142
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1(N=C2C=CC=C(C2=N1)S(=O)(=O)O)S(=O)(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCC1(N=C2C=CC=C(C2=N1)S(=O)(=O)O)S(=O)(=O)O


InChI

InChI=1S/C24H40N2O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24(34(30,31)32)25-21-18-17-19-22(23(21)26-24)33(27,28)29/h17-19H,2-16,20H2,1H3,(H,27,28,29)(H,30,31,32)


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