1-(1-phenyloctadecan-2-yl)benzimidazole-2,4-disulfonic acid

Systemtic Name: 1-(1-phenyloctadecan-2-yl)benzimidazole-2,4-disulfonic acid Openeye Name: 1-(1-benzylheptadecyl)benzimidazole-2,4-disulfonic acid CAS Name: 1-(1-phenyloctadecan-2-yl)benzimidazole-2,4-disulfonic acid IUPAC Name: 1-(1-phenyloctadecan-2-yl)benzimidazole-2,4-disulfonic acid Traditional Name: 1-(1-benzylheptadecyl)benzimidazole-2,4-disulfonic acid Formula: C31H46N2O6S2 MolecularWeight: 606.83674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CC1=CC=CC=C1)N2C3=C(C(=CC=C3)S(=O)(=O)O)N=C2S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CC1=CC=CC=C1)N2C3=C(C(=CC=C3)S(=O)(=O)O)N=C2S(=O)(=O)O

InChI

InChI=1S/C31H46N2O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22-27(25-26-20-16-15-17-21-26)33-28-23-19-24-29(40(34,35)36)30(28)32-31(33)41(37,38)39/h15-17,19-21,23-24,27H,2-14,18,22,25H2,1H3,(H,34,35,36)(H,37,38,39)