2-(3-aminophenyl)-1-dodecyl-benzimidazole-5-sulfonic acid

Systemtic Name: 2-(3-aminophenyl)-1-dodecyl-benzimidazole-5-sulfonic acid Openeye Name: 2-(3-aminophenyl)-1-dodecyl-benzimidazole-5-sulfonic acid CAS Name: 2-(3-aminophenyl)-1-dodecyl-5-benzimidazolesulfonic acid IUPAC Name: 2-(3-aminophenyl)-1-dodecylbenzimidazole-5-sulfonic acid Traditional Name: 2-(3-aminophenyl)-1-lauryl-benzimidazole-5-sulfonic acid Formula: C25H35N3O3S MolecularWeight: 457.6287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(C=C(C=C2)S(=O)(=O)O)N=C1C3=CC(=CC=C3)N

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(C=C(C=C2)S(=O)(=O)O)N=C1C3=CC(=CC=C3)N

InChI

InChI=1S/C25H35N3O3S/c1-2-3-4-5-6-7-8-9-10-11-17-28-24-16-15-22(32(29,30)31)19-23(24)27-25(28)20-13-12-14-21(26)18-20/h12-16,18-19H,2-11,17,26H2,1H3,(H,29,30,31)