(1Z,5S,6E)-2-diazonio-1-methoxy-5-oxidanyl-3-oxidanylidene-7-phenyl-hepta-1,6-dien-1-olate

Systemtic Name: (1Z,5S,6E)-2-diazonio-1-methoxy-5-oxidanyl-3-oxidanylidene-7-phenyl-hepta-1,6-dien-1-olate Openeye Name: (1Z,5S,6E)-2-diazonio-5-hydroxy-1-methoxy-3-oxo-7-phenyl-hepta-1,6-dien-1-olate CAS Name: (1Z,5S,6E)-2-diazonio-5-hydroxy-1-methoxy-3-oxo-7-phenyl-1-hepta-1,6-dienolate IUPAC Name: (1Z,5S,6E)-2-diazonio-5-hydroxy-1-methoxy-3-oxo-7-phenylhepta-1,6-dien-1-olate Traditional Name: (1Z,5S,6E)-2-diazonio-5-hydroxy-3-keto-1-methoxy-7-phenyl-hepta-1,6-dien-1-olate Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C(C(=O)CC(C=CC1=CC=CC=C1)O)[N+]#N)[O-]

Isomeric SMILES

CO/C(=C(/C(=O)C[C@@H](/C=C/C1=CC=CC=C1)O)\[N+]#N)/[O-]

InChI

InChI=1S/C14H14N2O4/c1-20-14(19)13(16-15)12(18)9-11(17)8-7-10-5-3-2-4-6-10/h2-8,11,17H,9H2,1H3/b8-7+/t11-/m1/s1