3-(1-phenyloctadecyl)-2H-benzimidazole-1,2-disulfonic acid

Systemtic Name: 3-(1-phenyloctadecyl)-2H-benzimidazole-1,2-disulfonic acid Openeye Name: 3-(1-phenyloctadecyl)-2H-benzimidazole-1,2-disulfonic acid CAS Name: 3-(1-phenyloctadecyl)-2H-benzimidazole-1,2-disulfonic acid IUPAC Name: 3-(1-phenyloctadecyl)-2H-benzimidazole-1,2-disulfonic acid Traditional Name: 3-(1-phenyloctadecyl)-2H-benzimidazole-1,2-disulfonic acid Formula: C31H48N2O6S2 MolecularWeight: 608.85262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C1=CC=CC=C1)N2C(N(C3=CC=CC=C32)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C1=CC=CC=C1)N2C(N(C3=CC=CC=C32)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C31H48N2O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-28(27-22-17-16-18-23-27)32-29-25-20-21-26-30(29)33(41(37,38)39)31(32)40(34,35)36/h16-18,20-23,25-26,28,31H,2-15,19,24H2,1H3,(H,34,35,36)(H,37,38,39)