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

Systemtic Name: 2-(4-aminophenyl)-1-octadecyl-benzimidazole-5-sulfonic acid Openeye Name: 2-(4-aminophenyl)-1-octadecyl-benzimidazole-5-sulfonic acid CAS Name: 2-(4-aminophenyl)-1-octadecyl-5-benzimidazolesulfonic acid IUPAC Name: 2-(4-aminophenyl)-1-octadecylbenzimidazole-5-sulfonic acid Traditional Name: 2-(4-aminophenyl)-1-stearyl-benzimidazole-5-sulfonic acid Formula: C31H47N3O3S MolecularWeight: 541.78818

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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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C2=C(C=C(C=C2)S(=O)(=O)O)N=C1C3=CC=C(C=C3)N

InChI

InChI=1S/C31H47N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-34-30-23-22-28(38(35,36)37)25-29(30)33-31(34)26-18-20-27(32)21-19-26/h18-23,25H,2-17,24,32H2,1H3,(H,35,36,37)