disodium [5-butyl-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate

Systemtic Name: disodium [5-butyl-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate Openeye Name: disodium [5-butyl-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate CAS Name: disodium [5-butyl-2-(methoxycarbonylamino)-1-benzimidazolyl]methyl phosphate IUPAC Name: disodium [5-butyl-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate Traditional Name: disodium [5-butyl-2-(carbomethoxyamino)benzimidazol-1-yl]methyl phosphate Formula: C14H18N3Na2O6P MolecularWeight: 401.262521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=N2)NC(=O)OC)COP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=N2)NC(=O)OC)COP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C14H20N3O6P.2Na/c1-3-4-5-10-6-7-12-11(8-10)15-13(16-14(18)22-2)17(12)9-23-24(19,20)21;;/h6-8H,3-5,9H2,1-2H3,(H,15,16,18)(H2,19,20,21);;/q;2*+1/p-2