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

Systemtic Name: 5-diazo-3,6-diethoxy-2-(4-methylphenyl)cyclohexa-1,3-diene-1-thiol tetrafluoroborate Openeye Name: 5-diazo-3,6-diethoxy-2-(p-tolyl)cyclohexa-1,3-diene-1-thiol tetrafluoroborate CAS Name: 5-diazo-3,6-diethoxy-2-(4-methylphenyl)-1-cyclohexa-1,3-dienethiol tetrafluoroborate IUPAC Name: 5-diazo-3,6-diethoxy-2-(4-methylphenyl)cyclohexa-1,3-diene-1-thiol tetrafluoroborate Traditional Name: 5-diazo-3,6-diethoxy-2-(p-tolyl)cyclohexa-1,3-diene-1-thiol tetrafluoroborate Formula: C17H20BF4N2O2S- MolecularWeight: 403.222513

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2S.BF4/c1-4-20-14-10-13(19-18)16(21-5-2)17(22)15(14)12-8-6-11(3)7-9-12;2-1(3,4)5/h6-10,16,22H,4-5H2,1-3H3;/q;-1