disodium [4-(10-methylacridin-10-ium-9-yl)carbonyloxyphenyl] phosphate

Systemtic Name: disodium [4-(10-methylacridin-10-ium-9-yl)carbonyloxyphenyl] phosphate Openeye Name: disodium [4-(10-methylacridin-10-ium-9-carbonyl)oxyphenyl] phosphate CAS Name: disodium [4-[(10-methyl-9-acridin-10-iumyl)-oxomethoxy]phenyl] phosphate IUPAC Name: disodium [4-(10-methylacridin-10-ium-9-carbonyl)oxyphenyl] phosphate Traditional Name: disodium [4-(10-methylacridin-10-ium-9-carbonyl)oxyphenyl] phosphate Formula: C21H15NNa2O6P+ MolecularWeight: 454.300201

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=C(C=C4)OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=C(C=C4)OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C21H16NO6P.2Na/c1-22-18-8-4-2-6-16(18)20(17-7-3-5-9-19(17)22)21(23)27-14-10-12-15(13-11-14)28-29(24,25)26;;/h2-13H,1H3,(H-,24,25,26);;/q;2*+1/p-1