2-[2-(4-chloranylsulfonylphenyl)ethyl]-5-diazonio-2-methyl-6-oxidanylidene-1,3-dioxin-4-olate

Systemtic Name: 2-[2-(4-chloranylsulfonylphenyl)ethyl]-5-diazonio-2-methyl-6-oxidanylidene-1,3-dioxin-4-olate Openeye Name: 2-[2-(4-chlorosulfonylphenyl)ethyl]-5-diazonio-2-methyl-6-oxo-1,3-dioxin-4-olate CAS Name: 2-[2-(4-chlorosulfonylphenyl)ethyl]-5-diazonio-2-methyl-6-oxo-1,3-dioxin-4-olate IUPAC Name: 2-[2-(4-chlorosulfonylphenyl)ethyl]-5-diazonio-2-methyl-6-oxo-1,3-dioxin-4-olate Traditional Name: 2-[2-(4-chlorosulfonylphenyl)ethyl]-5-diazonio-6-keto-2-methyl-1,3-dioxin-4-olate Formula: C13H11ClN2O6S MolecularWeight: 358.75424

Click to see the large picture

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