2-heptadecyl-7-sulfo-3H-pyrazolo[1,5-a]benzimidazole-5-carboxylic acid

Systemtic Name: 2-heptadecyl-7-sulfo-3H-pyrazolo[1,5-a]benzimidazole-5-carboxylic acid Openeye Name: 2-heptadecyl-7-sulfo-3H-pyrazolo[1,5-a]benzimidazole-5-carboxylic acid CAS Name: 2-heptadecyl-7-sulfo-3H-pyrazolo[1,5-a]benzimidazole-5-carboxylic acid IUPAC Name: 2-heptadecyl-7-sulfo-3H-pyrazolo[1,5-a]benzimidazole-5-carboxylic acid Traditional Name: 2-heptadecyl-7-sulfo-3H-pyrazolo[1,5-a]benzimidazole-5-carboxylic acid Formula: C27H41N3O5S MolecularWeight: 519.69654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NN2C(=NC3=C2C=C(C=C3C(=O)O)S(=O)(=O)O)C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NN2C(=NC3=C2C=C(C=C3C(=O)O)S(=O)(=O)O)C1

InChI

InChI=1S/C27H41N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-25-28-26-23(27(31)32)19-22(36(33,34)35)20-24(26)30(25)29-21/h19-20H,2-18H2,1H3,(H,31,32)(H,33,34,35)