trisodium [(Z)-2-(6-oxidanidylnaphthalen-2-yl)-1-phenylsulfanyl-prop-1-enyl] phosphate

Systemtic Name: trisodium [(Z)-2-(6-oxidanidylnaphthalen-2-yl)-1-phenylsulfanyl-prop-1-enyl] phosphate Openeye Name: trisodium [(Z)-2-(6-oxido-2-naphthyl)-1-phenylsulfanyl-prop-1-enyl] phosphate CAS Name: trisodium [(Z)-2-(6-oxido-2-naphthalenyl)-1-(phenylthio)prop-1-enyl] phosphate IUPAC Name: trisodium [(Z)-2-(6-oxidonaphthalen-2-yl)-1-phenylsulfanylprop-1-enyl] phosphate Traditional Name: trisodium [(Z)-2-(6-oxido-2-naphthyl)-1-(phenylthio)prop-1-enyl] phosphate Formula: C19H14Na3O5PS MolecularWeight: 454.319531

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(OP(=O)([O-])[O-])SC1=CC=CC=C1)C2=CC3=C(C=C2)C=C(C=C3)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C/C(=C(\OP(=O)([O-])[O-])/SC1=CC=CC=C1)/C2=CC3=C(C=C2)C=C(C=C3)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C19H17O5PS.3Na/c1-13(14-7-8-16-12-17(20)10-9-15(16)11-14)19(24-25(21,22)23)26-18-5-3-2-4-6-18;;;/h2-12,20H,1H3,(H2,21,22,23);;;/q;3*+1/p-3/b19-13-;;;