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

Systemtic Name: 5-diazo-2-(4-methylphenyl)-3,6-dioctoxy-cyclohexa-1,3-diene-1-thiol hexafluorophosphate Openeye Name: 5-diazo-3,6-dioctoxy-2-(p-tolyl)cyclohexa-1,3-diene-1-thiol hexafluorophosphate CAS Name: 5-diazo-2-(4-methylphenyl)-3,6-dioctoxy-1-cyclohexa-1,3-dienethiol hexafluorophosphate IUPAC Name: 5-diazo-2-(4-methylphenyl)-3,6-dioctoxycyclohexa-1,3-diene-1-thiol hexafluorophosphate Traditional Name: 5-diazo-3,6-dioctoxy-2-(p-tolyl)cyclohexa-1,3-diene-1-thiol hexafluorophosphate Formula: C29H44F6N2O2PS- MolecularWeight: 629.70104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C(=[N+]=[N-])C=C(C(=C1S)C2=CC=C(C=C2)C)OCCCCCCCC.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCCCCCCOC1C(=[N+]=[N-])C=C(C(=C1S)C2=CC=C(C=C2)C)OCCCCCCCC.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C29H44N2O2S.F6P/c1-4-6-8-10-12-14-20-32-26-22-25(31-30)28(33-21-15-13-11-9-7-5-2)29(34)27(26)24-18-16-23(3)17-19-24;1-7(2,3,4,5)6/h16-19,22,28,34H,4-15,20-21H2,1-3H3;/q;-1