disodium [[2,7-bis(fluoranyl)-10-methyl-acridin-9-ylidene]-phenylsulfanyl-methyl] phosphate

Systemtic Name: disodium [[2,7-bis(fluoranyl)-10-methyl-acridin-9-ylidene]-phenylsulfanyl-methyl] phosphate Openeye Name: disodium [(2,7-difluoro-10-methyl-acridin-9-ylidene)-phenylsulfanyl-methyl] phosphate CAS Name: disodium [(2,7-difluoro-10-methyl-9-acridinylidene)-(phenylthio)methyl] phosphate IUPAC Name: disodium [(2,7-difluoro-10-methylacridin-9-ylidene)-phenylsulfanylmethyl] phosphate Traditional Name: disodium [(2,7-difluoro-10-methyl-acridin-9-ylidene)-(phenylthio)methyl] phosphate Formula: C21H14F2NNa2O4PS MolecularWeight: 491.355267

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)F)C(=C(OP(=O)([O-])[O-])SC3=CC=CC=C3)C4=C1C=CC(=C4)F.[Na+].[Na+]

Isomeric SMILES

CN1C2=C(C=C(C=C2)F)C(=C(OP(=O)([O-])[O-])SC3=CC=CC=C3)C4=C1C=CC(=C4)F.[Na+].[Na+]

InChI

InChI=1S/C21H16F2NO4PS.2Na/c1-24-18-9-7-13(22)11-16(18)20(17-12-14(23)8-10-19(17)24)21(28-29(25,26)27)30-15-5-3-2-4-6-15;;/h2-12H,1H3,(H2,25,26,27);;/q;2*+1/p-2