2-[2-(4-chloranylsulfonylphenyl)ethyl]-2-methyl-4-oxidanyl-6-oxidanylidene-1,3-dioxine-5-diazonium

Systemtic Name: 2-[2-(4-chloranylsulfonylphenyl)ethyl]-2-methyl-4-oxidanyl-6-oxidanylidene-1,3-dioxine-5-diazonium Openeye Name: 2-[2-(4-chlorosulfonylphenyl)ethyl]-4-hydroxy-2-methyl-6-oxo-1,3-dioxine-5-diazonium CAS Name: 2-[2-(4-chlorosulfonylphenyl)ethyl]-4-hydroxy-2-methyl-6-oxo-1,3-dioxin-5-diazonium IUPAC Name: 2-[2-(4-chlorosulfonylphenyl)ethyl]-4-hydroxy-2-methyl-6-oxo-1,3-dioxine-5-diazonium Traditional Name: 2-[2-(4-chlorosulfonylphenyl)ethyl]-4-hydroxy-6-keto-2-methyl-1,3-dioxin-5-diazonium Formula: C13H12ClN2O6S+ MolecularWeight: 359.76218

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=C(C(=O)O1)[N+]#N)O)CCC2=CC=C(C=C2)S(=O)(=O)Cl

Isomeric SMILES

CC1(OC(=C(C(=O)O1)[N+]#N)O)CCC2=CC=C(C=C2)S(=O)(=O)Cl

InChI

InChI=1S/C13H11ClN2O6S/c1-13(21-11(17)10(16-15)12(18)22-13)7-6-8-2-4-9(5-3-8)23(14,19)20/h2-5H,6-7H2,1H3/p+1