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

Systemtic Name: 2-tridecyl-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-tridecyl-3H-benzimidazole-5-sulfonic acid CAS Name: 2-tridecyl-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-tridecyl-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-tridecyl-3H-benzimidazole-5-sulfonic acid Formula: C20H32N2O3S MolecularWeight: 380.54468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C20H32N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-21-18-15-14-17(26(23,24)25)16-19(18)22-20/h14-16H,2-13H2,1H3,(H,21,22)(H,23,24,25)