5-diazo-3,6-diethoxy-2-(4-methylphenyl)cyclohexa-1,3-diene-1-thiol hexafluorophosphate

Systemtic Name: 5-diazo-3,6-diethoxy-2-(4-methylphenyl)cyclohexa-1,3-diene-1-thiol hexafluorophosphate Openeye Name: 5-diazo-3,6-diethoxy-2-(p-tolyl)cyclohexa-1,3-diene-1-thiol hexafluorophosphate CAS Name: 5-diazo-3,6-diethoxy-2-(4-methylphenyl)-1-cyclohexa-1,3-dienethiol hexafluorophosphate IUPAC Name: 5-diazo-3,6-diethoxy-2-(4-methylphenyl)cyclohexa-1,3-diene-1-thiol hexafluorophosphate Traditional Name: 5-diazo-3,6-diethoxy-2-(p-tolyl)cyclohexa-1,3-diene-1-thiol hexafluorophosphate Formula: C17H20F6N2O2PS- MolecularWeight: 461.38208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(=[N+]=[N-])C=C(C(=C1S)C2=CC=C(C=C2)C)OCC.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCOC1C(=[N+]=[N-])C=C(C(=C1S)C2=CC=C(C=C2)C)OCC.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C17H20N2O2S.F6P/c1-4-20-14-10-13(19-18)16(21-5-2)17(22)15(14)12-8-6-11(3)7-9-12;1-7(2,3,4,5)6/h6-10,16,22H,4-5H2,1-3H3;/q;-1