disodium [(Z)-1-phenylsulfanyl-2-pyren-1-yl-ethenyl] phosphate

Systemtic Name: disodium [(Z)-1-phenylsulfanyl-2-pyren-1-yl-ethenyl] phosphate Openeye Name: disodium [(Z)-1-phenylsulfanyl-2-pyren-1-yl-vinyl] phosphate CAS Name: disodium [(Z)-1-(phenylthio)-2-(1-pyrenyl)ethenyl] phosphate IUPAC Name: disodium [(Z)-1-phenylsulfanyl-2-pyren-1-ylethenyl] phosphate Traditional Name: disodium [(Z)-1-(phenylthio)-2-pyren-1-yl-vinyl] phosphate Formula: C24H15Na2O4PS MolecularWeight: 476.391801

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(=CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)S/C(=C\C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)/OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C24H17O4PS.2Na/c25-29(26,27)28-22(30-20-7-2-1-3-8-20)15-19-12-11-18-10-9-16-5-4-6-17-13-14-21(19)24(18)23(16)17;;/h1-15H,(H2,25,26,27);;/q;2*+1/p-2/b22-15-;;