disodium [(10-methylacridin-9-ylidene)-phenylsulfanyl-methyl] phosphate

Systemtic Name: disodium [(10-methylacridin-9-ylidene)-phenylsulfanyl-methyl] phosphate Openeye Name: disodium [(10-methylacridin-9-ylidene)-phenylsulfanyl-methyl] phosphate CAS Name: disodium [(10-methyl-9-acridinylidene)-(phenylthio)methyl] phosphate IUPAC Name: disodium [(10-methylacridin-9-ylidene)-phenylsulfanylmethyl] phosphate Traditional Name: disodium [(10-methylacridin-9-ylidene)-(phenylthio)methyl] phosphate Formula: C21H16NNa2O4PS MolecularWeight: 455.374341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18NO4PS.2Na/c1-22-18-13-7-5-11-16(18)20(17-12-6-8-14-19(17)22)21(26-27(23,24)25)28-15-9-3-2-4-10-15;;/h2-14H,1H3,(H2,23,24,25);;/q;2*+1/p-2