(Z)-1,7-bis(3-chloranylsulfonyl-4-methyl-phenyl)-4-diazonio-5-oxidanylidene-hept-3-en-3-olate

Systemtic Name: (Z)-1,7-bis(3-chloranylsulfonyl-4-methyl-phenyl)-4-diazonio-5-oxidanylidene-hept-3-en-3-olate Openeye Name: (Z)-1,7-bis(3-chlorosulfonyl-4-methyl-phenyl)-4-diazonio-5-oxo-hept-3-en-3-olate CAS Name: (Z)-1,7-bis(3-chlorosulfonyl-4-methylphenyl)-4-diazonio-5-oxo-3-hepten-3-olate IUPAC Name: (Z)-1,7-bis(3-chlorosulfonyl-4-methylphenyl)-4-diazonio-5-oxohept-3-en-3-olate Traditional Name: (Z)-1,7-bis(3-chlorosulfonyl-4-methyl-phenyl)-4-diazonio-5-keto-hept-3-en-3-olate Formula: C21H20Cl2N2O6S2 MolecularWeight: 531.4293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(=C(C(=O)CCC2=CC(=C(C=C2)C)S(=O)(=O)Cl)[N+]#N)[O-])S(=O)(=O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CC/C(=C(\C(=O)CCC2=CC(=C(C=C2)C)S(=O)(=O)Cl)/[N+]#N)/[O-])S(=O)(=O)Cl

InChI

InChI=1S/C21H20Cl2N2O6S2/c1-13-3-5-15(11-19(13)32(22,28)29)7-9-17(26)21(25-24)18(27)10-8-16-6-4-14(2)20(12-16)33(23,30)31/h3-6,11-12H,7-10H2,1-2H3