3-[3,4-bis(methylsulfonyloxy)phenyl]-2-diazonio-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: 3-[3,4-bis(methylsulfonyloxy)phenyl]-2-diazonio-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate Openeye Name: 3-[3,4-bis(methylsulfonyloxy)phenyl]-2-diazonio-1-ethoxy-3-oxo-prop-1-en-1-olate CAS Name: 3-[3,4-bis(methylsulfonyloxy)phenyl]-2-diazonio-1-ethoxy-3-oxo-1-propen-1-olate IUPAC Name: 3-[3,4-bis(methylsulfonyloxy)phenyl]-2-diazonio-1-ethoxy-3-oxoprop-1-en-1-olate Traditional Name: 3-[3,4-bis(methylsulfonyloxy)phenyl]-2-diazonio-1-ethoxy-3-keto-prop-1-en-1-olate Formula: C13H14N2O9S2 MolecularWeight: 406.38826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C1=CC(=C(C=C1)OS(=O)(=O)C)OS(=O)(=O)C)[N+]#N)[O-]

Isomeric SMILES

CCOC(=C(C(=O)C1=CC(=C(C=C1)OS(=O)(=O)C)OS(=O)(=O)C)[N+]#N)[O-]

InChI

InChI=1S/C13H14N2O9S2/c1-4-22-13(17)11(15-14)12(16)8-5-6-9(23-25(2,18)19)10(7-8)24-26(3,20)21/h5-7H,4H2,1-3H3