5-chloranyl-2-(4-chloranylphenoxy)-4-diazo-N,N-diethyl-cyclohexa-2,5-dien-1-amine; fluoranylphosphonic acid

Systemtic Name: 5-chloranyl-2-(4-chloranylphenoxy)-4-diazo-N,N-diethyl-cyclohexa-2,5-dien-1-amine; fluoranylphosphonic acid Openeye Name: 5-chloro-2-(4-chlorophenoxy)-4-diazo-N,N-diethyl-cyclohexa-2,5-dien-1-amine; fluorophosphonic acid CAS Name: 5-chloro-2-(4-chlorophenoxy)-4-diazo-N,N-diethyl-1-cyclohexa-2,5-dienamine; fluorophosphonic acid IUPAC Name: 5-chloro-2-(4-chlorophenoxy)-4-diazo-N,N-diethylcyclohexa-2,5-dien-1-amine; fluorophosphonic acid Traditional Name: [5-chloro-2-(4-chlorophenoxy)-4-diazo-cyclohexa-2,5-dien-1-yl]-diethyl-amine; fluorophosphonic acid Formula: C16H29Cl2F6N3O19P6 MolecularWeight: 938.149145

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1C=C(C(=[N+]=[N-])C=C1OC2=CC=C(C=C2)Cl)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

CCN(CC)C1C=C(C(=[N+]=[N-])C=C1OC2=CC=C(C=C2)Cl)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/C16H17Cl2N3O.6FH2O3P/c1-3-21(4-2)15-9-13(18)14(20-19)10-16(15)22-12-7-5-11(17)6-8-12;6*1-5(2,3)4/h5-10,15H,3-4H2,1-2H3;6*(H2,2,3,4)