2-chloranyl-N-cyclohexyl-4-diazo-N-methyl-cyclohexa-1,5-dien-1-amine; fluoranylphosphonic acid

Systemtic Name: 2-chloranyl-N-cyclohexyl-4-diazo-N-methyl-cyclohexa-1,5-dien-1-amine; fluoranylphosphonic acid Openeye Name: 2-chloro-N-cyclohexyl-4-diazo-N-methyl-cyclohexa-1,5-dien-1-amine; fluorophosphonic acid CAS Name: 2-chloro-N-cyclohexyl-4-diazo-N-methyl-1-cyclohexa-1,5-dienamine; fluorophosphonic acid IUPAC Name: 2-chloro-N-cyclohexyl-4-diazo-N-methylcyclohexa-1,5-dien-1-amine; fluorophosphonic acid Traditional Name: (2-chloro-4-diazo-cyclohexa-1,5-dien-1-yl)-cyclohexyl-methyl-amine; fluorophosphonic acid Formula: C13H30ClF6N3O18P6 MolecularWeight: 851.672585

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=C(CC(=[N+]=[N-])C=C2)Cl.OP(=O)(O)F.OP(=O)(O)F.OP(=O)(O)F.OP(=O)(O)F.OP(=O)(O)F.OP(=O)(O)F

Isomeric SMILES

CN(C1CCCCC1)C2=C(CC(=[N+]=[N-])C=C2)Cl.OP(=O)(O)F.OP(=O)(O)F.OP(=O)(O)F.OP(=O)(O)F.OP(=O)(O)F.OP(=O)(O)F

InChI

InChI=1S/C13H18ClN3.6FH2O3P/c1-17(11-5-3-2-4-6-11)13-8-7-10(16-15)9-12(13)14;6*1-5(2,3)4/h7-8,11H,2-6,9H2,1H3;6*(H2,2,3,4)