(Z)-4-oxidanyl-2-oxidanylidene-6-(4-sulfophenyl)hex-3-ene-3-diazonium

Systemtic Name: (Z)-4-oxidanyl-2-oxidanylidene-6-(4-sulfophenyl)hex-3-ene-3-diazonium Openeye Name: (Z)-4-hydroxy-2-oxo-6-(4-sulfophenyl)hex-3-ene-3-diazonium CAS Name: (Z)-4-hydroxy-2-oxo-6-(4-sulfophenyl)-3-hexene-3-diazonium IUPAC Name: (Z)-4-hydroxy-2-oxo-6-(4-sulfophenyl)hex-3-ene-3-diazonium Traditional Name: (Z)-4-hydroxy-2-keto-6-(4-sulfophenyl)hex-3-ene-3-diazonium Formula: C12H13N2O5S+ MolecularWeight: 297.30702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(CCC1=CC=C(C=C1)S(=O)(=O)O)O)[N+]#N

Isomeric SMILES

CC(=O)/C(=C(\CCC1=CC=C(C=C1)S(=O)(=O)O)/O)/[N+]#N

InChI

InChI=1S/C12H12N2O5S/c1-8(15)12(14-13)11(16)7-4-9-2-5-10(6-3-9)20(17,18)19/h2-3,5-6H,4,7H2,1H3,(H-,15,16,17,18,19)/p+1