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

Systemtic Name: (Z)-1,7-bis(3-chloranylsulfonyl-4-methoxy-phenyl)-3-oxidanyl-5-oxidanylidene-hept-3-ene-4-diazonium Openeye Name: (Z)-1,7-bis(3-chlorosulfonyl-4-methoxy-phenyl)-3-hydroxy-5-oxo-hept-3-ene-4-diazonium CAS Name: (Z)-1,7-bis(3-chlorosulfonyl-4-methoxyphenyl)-3-hydroxy-5-oxo-3-heptene-4-diazonium IUPAC Name: (Z)-1,7-bis(3-chlorosulfonyl-4-methoxyphenyl)-3-hydroxy-5-oxohept-3-ene-4-diazonium Traditional Name: (Z)-1,7-bis(3-chlorosulfonyl-4-methoxy-phenyl)-3-hydroxy-5-keto-hept-3-ene-4-diazonium Formula: C21H21Cl2N2O8S2+ MolecularWeight: 564.43604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=C(C(=O)CCC2=CC(=C(C=C2)OC)S(=O)(=O)Cl)[N+]#N)O)S(=O)(=O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CC/C(=C(\C(=O)CCC2=CC(=C(C=C2)OC)S(=O)(=O)Cl)/[N+]#N)/O)S(=O)(=O)Cl

InChI

InChI=1S/C21H20Cl2N2O8S2/c1-32-17-9-5-13(11-19(17)34(22,28)29)3-7-15(26)21(25-24)16(27)8-4-14-6-10-18(33-2)20(12-14)35(23,30)31/h5-6,9-12H,3-4,7-8H2,1-2H3/p+1