6-heptadecyl-3-(phenylmethyl)-2H-benzimidazole-1,2-disulfonic acid

Systemtic Name: 6-heptadecyl-3-(phenylmethyl)-2H-benzimidazole-1,2-disulfonic acid Openeye Name: 3-benzyl-6-heptadecyl-2H-benzimidazole-1,2-disulfonic acid CAS Name: 6-heptadecyl-3-(phenylmethyl)-2H-benzimidazole-1,2-disulfonic acid IUPAC Name: 3-benzyl-6-heptadecyl-2H-benzimidazole-1,2-disulfonic acid Traditional Name: 3-benzyl-6-heptadecyl-2H-benzimidazole-1,2-disulfonic acid Formula: C31H48N2O6S2 MolecularWeight: 608.85262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=CC2=C(C=C1)N(C(N2S(=O)(=O)O)S(=O)(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=CC2=C(C=C1)N(C(N2S(=O)(=O)O)S(=O)(=O)O)CC3=CC=CC=C3

InChI

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