1-octadecyl-2-[4-(oxidanylamino)phenyl]benzimidazole-5-sulfonic acid

Systemtic Name: 1-octadecyl-2-[4-(oxidanylamino)phenyl]benzimidazole-5-sulfonic acid Openeye Name: 2-[4-(hydroxyamino)phenyl]-1-octadecyl-benzimidazole-5-sulfonic acid CAS Name: 2-[4-(hydroxyamino)phenyl]-1-octadecyl-5-benzimidazolesulfonic acid IUPAC Name: 2-[4-(hydroxyamino)phenyl]-1-octadecylbenzimidazole-5-sulfonic acid Traditional Name: 2-[4-(hydroxyamino)phenyl]-1-stearyl-benzimidazole-5-sulfonic acid Formula: C31H47N3O4S MolecularWeight: 557.78758

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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)NO

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C2=C(C=C(C=C2)S(=O)(=O)O)N=C1C3=CC=C(C=C3)NO

InChI

InChI=1S/C31H47N3O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-34-30-23-22-28(39(36,37)38)25-29(30)32-31(34)26-18-20-27(33-35)21-19-26/h18-23,25,33,35H,2-17,24H2,1H3,(H,36,37,38)