(Z)-1,7-bis(3-chloranylsulfonyl-4-methyl-phenyl)-3-oxidanyl-5-oxidanylidene-hept-3-ene-4-diazonium

Systemtic Name: (Z)-1,7-bis(3-chloranylsulfonyl-4-methyl-phenyl)-3-oxidanyl-5-oxidanylidene-hept-3-ene-4-diazonium Openeye Name: (Z)-1,7-bis(3-chlorosulfonyl-4-methyl-phenyl)-3-hydroxy-5-oxo-hept-3-ene-4-diazonium CAS Name: (Z)-1,7-bis(3-chlorosulfonyl-4-methylphenyl)-3-hydroxy-5-oxo-3-heptene-4-diazonium IUPAC Name: (Z)-1,7-bis(3-chlorosulfonyl-4-methylphenyl)-3-hydroxy-5-oxohept-3-ene-4-diazonium Traditional Name: (Z)-1,7-bis(3-chlorosulfonyl-4-methyl-phenyl)-3-hydroxy-5-keto-hept-3-ene-4-diazonium Formula: C21H21Cl2N2O6S2+ MolecularWeight: 532.43724

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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/p+1