1-heptadecyl-1-(phenylmethyl)benzimidazol-1-ium-2,4-disulfonic acid

Systemtic Name: 1-heptadecyl-1-(phenylmethyl)benzimidazol-1-ium-2,4-disulfonic acid Openeye Name: 1-benzyl-1-heptadecyl-benzimidazol-1-ium-2,4-disulfonic acid CAS Name: 1-heptadecyl-1-(phenylmethyl)benzimidazol-1-ium-2,4-disulfonic acid IUPAC Name: 1-benzyl-1-heptadecylbenzimidazol-1-ium-2,4-disulfonic acid Traditional Name: 1-benzyl-1-heptadecyl-benzimidazol-1-ium-2,4-disulfonic acid Formula: C31H47N2O6S2+ MolecularWeight: 607.84468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC[N+]1(C2=C(C(=CC=C2)S(=O)(=O)O)N=C1S(=O)(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCC[N+]1(C2=C(C(=CC=C2)S(=O)(=O)O)N=C1S(=O)(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C31H46N2O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-33(26-27-21-17-16-18-22-27)28-23-20-24-29(40(34,35)36)30(28)32-31(33)41(37,38)39/h16-18,20-24H,2-15,19,25-26H2,1H3,(H-,34,35,36,37,38,39)/p+1