sodium 2-(3-aminophenyl)-1-dodecyl-benzimidazole-5-sulfonate

Systemtic Name: sodium 2-(3-aminophenyl)-1-dodecyl-benzimidazole-5-sulfonate Openeye Name: sodium 2-(3-aminophenyl)-1-dodecyl-benzimidazole-5-sulfonate CAS Name: sodium 2-(3-aminophenyl)-1-dodecyl-5-benzimidazolesulfonate IUPAC Name: sodium 2-(3-aminophenyl)-1-dodecylbenzimidazole-5-sulfonate Traditional Name: sodium 2-(3-aminophenyl)-1-lauryl-benzimidazole-5-sulfonate Formula: C25H34N3NaO3S MolecularWeight: 479.61053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(C=C(C=C2)S(=O)(=O)[O-])N=C1C3=CC(=CC=C3)N.[Na+]

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(C=C(C=C2)S(=O)(=O)[O-])N=C1C3=CC(=CC=C3)N.[Na+]

InChI

InChI=1S/C25H35N3O3S.Na/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);/q;+1/p-1