2-(4-nitrophenyl)-1-octadecyl-benzimidazole-5-sulfonic acid

Systemtic Name: 2-(4-nitrophenyl)-1-octadecyl-benzimidazole-5-sulfonic acid Openeye Name: 2-(4-nitrophenyl)-1-octadecyl-benzimidazole-5-sulfonic acid CAS Name: 2-(4-nitrophenyl)-1-octadecyl-5-benzimidazolesulfonic acid IUPAC Name: 2-(4-nitrophenyl)-1-octadecylbenzimidazole-5-sulfonic acid Traditional Name: 2-(4-nitrophenyl)-1-stearyl-benzimidazole-5-sulfonic acid Formula: C31H45N3O5S MolecularWeight: 571.7711

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C2=C(C=C(C=C2)S(=O)(=O)O)N=C1C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C2=C(C=C(C=C2)S(=O)(=O)O)N=C1C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C31H45N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-33-30-23-22-28(40(37,38)39)25-29(30)32-31(33)26-18-20-27(21-19-26)34(35)36/h18-23,25H,2-17,24H2,1H3,(H,37,38,39)