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

Systemtic Name: 2-heptadecyl-3-sulfo-3H-pyrazolo[1,5-a]benzimidazole-6-carboxylic acid Openeye Name: 2-heptadecyl-3-sulfo-3H-pyrazolo[1,5-a]benzimidazole-6-carboxylic acid CAS Name: 2-heptadecyl-3-sulfo-3H-pyrazolo[1,5-a]benzimidazole-6-carboxylic acid IUPAC Name: 2-heptadecyl-3-sulfo-3H-pyrazolo[1,5-a]benzimidazole-6-carboxylic acid Traditional Name: 2-heptadecyl-3-sulfo-3H-pyrazolo[1,5-a]benzimidazole-6-carboxylic acid Formula: C27H41N3O5S MolecularWeight: 519.69654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NN2C3=C(C=C(C=C3)C(=O)O)N=C2C1S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NN2C3=C(C=C(C=C3)C(=O)O)N=C2C1S(=O)(=O)O

InChI

InChI=1S/C27H41N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25(36(33,34)35)26-28-23-20-21(27(31)32)18-19-24(23)30(26)29-22/h18-20,25H,2-17H2,1H3,(H,31,32)(H,33,34,35)