disodium 2-heptadecyl-3H-pyrazolo[1,5-a]benzimidazole-3,6-disulfonate

Systemtic Name: disodium 2-heptadecyl-3H-pyrazolo[1,5-a]benzimidazole-3,6-disulfonate Openeye Name: disodium 2-heptadecyl-3H-pyrazolo[1,5-a]benzimidazole-3,6-disulfonate CAS Name: disodium 2-heptadecyl-3H-pyrazolo[1,5-a]benzimidazole-3,6-disulfonate IUPAC Name: disodium 2-heptadecyl-3H-pyrazolo[1,5-a]benzimidazole-3,6-disulfonate Traditional Name: disodium 2-heptadecyl-3H-pyrazolo[1,5-a]benzimidazole-3,6-disulfonate Formula: C26H39N3Na2O6S2 MolecularWeight: 599.7139

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NN2C3=C(C=C(C=C3)S(=O)(=O)[O-])N=C2C1S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NN2C3=C(C=C(C=C3)S(=O)(=O)[O-])N=C2C1S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C26H41N3O6S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25(37(33,34)35)26-27-23-20-21(36(30,31)32)18-19-24(23)29(26)28-22;;/h18-20,25H,2-17H2,1H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2