2-(2-sulfanylidenehexadecyl)-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-(2-sulfanylidenehexadecyl)-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-(2-thioxohexadecyl)-3H-benzimidazole-5-sulfonic acid CAS Name: 2-(2-sulfanylidenehexadecyl)-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-(2-sulfanylidenehexadecyl)-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-(2-thioxohexadecyl)-3H-benzimidazole-5-sulfonic acid Formula: C23H36N2O3S2 MolecularWeight: 452.67354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=S)CC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(=S)CC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C23H36N2O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(29)17-23-24-21-16-15-20(30(26,27)28)18-22(21)25-23/h15-16,18H,2-14,17H2,1H3,(H,24,25)(H,26,27,28)