4-pentadecyl-1H-benzimidazole-2-sulfonic acid

Systemtic Name: 4-pentadecyl-1H-benzimidazole-2-sulfonic acid Openeye Name: 4-pentadecyl-1H-benzimidazole-2-sulfonic acid CAS Name: 4-pentadecyl-1H-benzimidazole-2-sulfonic acid IUPAC Name: 4-pentadecyl-1H-benzimidazole-2-sulfonic acid Traditional Name: 4-pentadecyl-1H-benzimidazole-2-sulfonic acid Formula: C22H36N2O3S MolecularWeight: 408.59784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C2C(=CC=C1)NC(=N2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C2C(=CC=C1)NC(=N2)S(=O)(=O)O

InChI

InChI=1S/C22H36N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20-21(19)24-22(23-20)28(25,26)27/h15,17-18H,2-14,16H2,1H3,(H,23,24)(H,25,26,27)