disodium [phenylsulfanyl(thioxanthen-9-ylidene)methyl] phosphate

Systemtic Name: disodium [phenylsulfanyl(thioxanthen-9-ylidene)methyl] phosphate Openeye Name: disodium [phenylsulfanyl(thioxanthen-9-ylidene)methyl] phosphate CAS Name: disodium [(phenylthio)-(9-thioxanthenylidene)methyl] phosphate IUPAC Name: disodium [phenylsulfanyl(thioxanthen-9-ylidene)methyl] phosphate Traditional Name: disodium [(phenylthio)-thioxanthen-9-ylidene-methyl] phosphate Formula: C20H13Na2O4PS2 MolecularWeight: 458.398121

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(=C2C3=CC=CC=C3SC4=CC=CC=C42)OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)SC(=C2C3=CC=CC=C3SC4=CC=CC=C42)OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C20H15O4PS2.2Na/c21-25(22,23)24-20(26-14-8-2-1-3-9-14)19-15-10-4-6-12-17(15)27-18-13-7-5-11-16(18)19;;/h1-13H,(H2,21,22,23);;/q;2*+1/p-2