2-heptadecyl-3H-pyrazolo[1,5-a]benzimidazole-6-sulfonic acid

Systemtic Name: 2-heptadecyl-3H-pyrazolo[1,5-a]benzimidazole-6-sulfonic acid Openeye Name: 2-heptadecyl-3H-pyrazolo[1,5-a]benzimidazole-6-sulfonic acid CAS Name: 2-heptadecyl-3H-pyrazolo[1,5-a]benzimidazole-6-sulfonic acid IUPAC Name: 2-heptadecyl-3H-pyrazolo[1,5-a]benzimidazole-6-sulfonic acid Traditional Name: 2-heptadecyl-3H-pyrazolo[1,5-a]benzimidazole-6-sulfonic acid Formula: C26H41N3O3S MolecularWeight: 475.68704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NN2C(=NC3=C2C=CC(=C3)S(=O)(=O)O)C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NN2C(=NC3=C2C=CC(=C3)S(=O)(=O)O)C1

InChI

InChI=1S/C26H41N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20-26-27-24-21-23(33(30,31)32)18-19-25(24)29(26)28-22/h18-19,21H,2-17,20H2,1H3,(H,30,31,32)