disodium 1H-indol-3-yl [1H-indol-3-yloxy(oxidanidyl)phosphoryl] phosphate

Systemtic Name: disodium 1H-indol-3-yl [1H-indol-3-yloxy(oxidanidyl)phosphoryl] phosphate Openeye Name: disodium 1H-indol-3-yl [1H-indol-3-yloxy(oxido)phosphoryl] phosphate CAS Name: disodium 1H-indol-3-yl [1H-indol-3-yloxy(oxido)phosphoryl] phosphate IUPAC Name: disodium 1H-indol-3-yl [1H-indol-3-yloxy(oxido)phosphoryl] phosphate Traditional Name: disodium 1H-indol-3-yl [1H-indol-3-yloxy(oxido)phosphoryl] phosphate Formula: C16H12N2Na2O7P2 MolecularWeight: 452.202742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)OP(=O)([O-])OP(=O)([O-])OC3=CNC4=CC=CC=C43.[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)OP(=O)([O-])OP(=O)([O-])OC3=CNC4=CC=CC=C43.[Na+].[Na+]

InChI

InChI=1S/C16H14N2O7P2.2Na/c19-26(20,23-15-9-17-13-7-3-1-5-11(13)15)25-27(21,22)24-16-10-18-14-8-4-2-6-12(14)16;;/h1-10,17-18H,(H,19,20)(H,21,22);;/q;2*+1/p-2