disodium [(4-chlorophenyl)sulfanyl-(10-methylacridin-9-ylidene)methyl] phosphate

Systemtic Name: disodium [(4-chlorophenyl)sulfanyl-(10-methylacridin-9-ylidene)methyl] phosphate Openeye Name: disodium [(4-chlorophenyl)sulfanyl-(10-methylacridin-9-ylidene)methyl] phosphate CAS Name: disodium [[(4-chlorophenyl)thio]-(10-methyl-9-acridinylidene)methyl] phosphate IUPAC Name: disodium [(4-chlorophenyl)sulfanyl-(10-methylacridin-9-ylidene)methyl] phosphate Traditional Name: disodium [[(4-chlorophenyl)thio]-(10-methylacridin-9-ylidene)methyl] phosphate Formula: C21H15ClNNa2O4PS MolecularWeight: 489.819401

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C(OP(=O)([O-])[O-])SC3=CC=C(C=C3)Cl)C4=CC=CC=C41.[Na+].[Na+]

Isomeric SMILES

CN1C2=CC=CC=C2C(=C(OP(=O)([O-])[O-])SC3=CC=C(C=C3)Cl)C4=CC=CC=C41.[Na+].[Na+]

InChI

InChI=1S/C21H17ClNO4PS.2Na/c1-23-18-8-4-2-6-16(18)20(17-7-3-5-9-19(17)23)21(27-28(24,25)26)29-15-12-10-14(22)11-13-15;;/h2-13H,1H3,(H2,24,25,26);;/q;2*+1/p-2