zinc 2,5-dibutoxy-6-diazo-3-(4-methylphenyl)sulfanyl-cyclohexa-1,3-diene dichloride

Systemtic Name: zinc 2,5-dibutoxy-6-diazo-3-(4-methylphenyl)sulfanyl-cyclohexa-1,3-diene dichloride Openeye Name: zinc 2,5-dibutoxy-6-diazo-3-(p-tolylsulfanyl)cyclohexa-1,3-diene dichloride CAS Name: zinc 2,5-dibutoxy-6-diazo-3-[(4-methylphenyl)thio]cyclohexa-1,3-diene dichloride IUPAC Name: zinc 2,5-dibutoxy-6-diazo-3-(4-methylphenyl)sulfanylcyclohexa-1,3-diene dichloride Traditional Name: zinc 2,5-dibutoxy-6-diazo-3-(p-tolylthio)cyclohexa-1,3-diene dichloride Formula: C21H28Cl2N2O2SZn MolecularWeight: 508.83922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1C=C(C(=CC1=[N+]=[N-])OCCCC)SC2=CC=C(C=C2)C.[Cl-].[Cl-].[Zn+2]

Isomeric SMILES

CCCCOC1C=C(C(=CC1=[N+]=[N-])OCCCC)SC2=CC=C(C=C2)C.[Cl-].[Cl-].[Zn+2]

InChI

InChI=1S/C21H28N2O2S.2ClH.Zn/c1-4-6-12-24-19-15-21(26-17-10-8-16(3)9-11-17)20(14-18(19)23-22)25-13-7-5-2;;;/h8-11,14-15,19H,4-7,12-13H2,1-3H3;2*1H;/q;;;+2/p-2