2-heptadecyl-3-methyl-benzimidazole-4-sulfonic acid

Systemtic Name: 2-heptadecyl-3-methyl-benzimidazole-4-sulfonic acid Openeye Name: 2-heptadecyl-3-methyl-benzimidazole-4-sulfonic acid CAS Name: 2-heptadecyl-3-methyl-4-benzimidazolesulfonic acid IUPAC Name: 2-heptadecyl-3-methylbenzimidazole-4-sulfonic acid Traditional Name: 2-heptadecyl-3-methyl-benzimidazole-4-sulfonic acid Formula: C25H42N2O3S MolecularWeight: 450.67758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NC2=C(N1C)C(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NC2=C(N1C)C(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C25H42N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26-22-19-18-20-23(31(28,29)30)25(22)27(24)2/h18-20H,3-17,21H2,1-2H3,(H,28,29,30)