(1E,3Z)-2-diazonio-1-[(3R)-4,4-dimethyl-2-oxidanylidene-oxolan-3-yl]oxy-hexa-1,3-dien-1-olate

Systemtic Name: (1E,3Z)-2-diazonio-1-[(3R)-4,4-dimethyl-2-oxidanylidene-oxolan-3-yl]oxy-hexa-1,3-dien-1-olate Openeye Name: (1E,3Z)-2-diazonio-1-[(3R)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl]oxy-hexa-1,3-dien-1-olate CAS Name: (1E,3Z)-2-diazonio-1-[[(3R)-4,4-dimethyl-2-oxo-3-oxolanyl]oxy]-1-hexa-1,3-dienolate IUPAC Name: (1E,3Z)-2-diazonio-1-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]oxyhexa-1,3-dien-1-olate Traditional Name: (1E,3Z)-2-diazonio-1-[(3R)-2-keto-4,4-dimethyl-tetrahydrofuran-3-yl]oxy-hexa-1,3-dien-1-olate Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(=C([O-])OC1C(=O)OCC1(C)C)[N+]#N

Isomeric SMILES

CC/C=C\C(=C(\[O-])/O[C@H]1C(=O)OCC1(C)C)\[N+]#N

InChI

InChI=1S/C12H16N2O4/c1-4-5-6-8(14-13)10(15)18-9-11(16)17-7-12(9,2)3/h5-6,9H,4,7H2,1-3H3/b6-5-,10-8+/t9-/m0/s1