2-hexadecyl-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-hexadecyl-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-hexadecyl-3H-benzimidazole-5-sulfonic acid CAS Name: 2-hexadecyl-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-hexadecyl-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-cetyl-3H-benzimidazole-5-sulfonic acid Formula: C23H38N2O3S MolecularWeight: 422.62442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C23H38N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-24-21-18-17-20(29(26,27)28)19-22(21)25-23/h17-19H,2-16H2,1H3,(H,24,25)(H,26,27,28)