disodium [6-butyl-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate

Systemtic Name: disodium [6-butyl-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate Openeye Name: disodium [6-butyl-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate CAS Name: disodium [6-butyl-2-(methoxycarbonylamino)-1-benzimidazolyl]methyl phosphate IUPAC Name: disodium [6-butyl-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate Traditional Name: disodium [6-butyl-2-(carbomethoxyamino)benzimidazol-1-yl]methyl phosphate Formula: C14H18N3Na2O6P MolecularWeight: 401.262521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(N2COP(=O)([O-])[O-])NC(=O)OC.[Na+].[Na+]

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(N2COP(=O)([O-])[O-])NC(=O)OC.[Na+].[Na+]

InChI

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