5,6-dimethoxy-3-[(E,2S)-2-methylhex-4-enoyl]pyridine-2,4-diolate

Systemtic Name: 5,6-dimethoxy-3-[(E,2S)-2-methylhex-4-enoyl]pyridine-2,4-diolate Openeye Name: 5,6-dimethoxy-3-[(E,2S)-2-methylhex-4-enoyl]pyridine-2,4-diolate CAS Name: 5,6-dimethoxy-3-[(E,2S)-2-methyl-1-oxohex-4-enyl]pyridine-2,4-diolate IUPAC Name: 5,6-dimethoxy-3-[(E,2S)-2-methylhex-4-enoyl]pyridine-2,4-diolate Traditional Name: 5,6-dimethoxy-3-[(E,2S)-2-methylhex-4-enoyl]pyridine-2,4-diolate Formula: C14H17NO5-2 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(C)C(=O)C1=C(C(=C(N=C1[O-])OC)OC)[O-]

Isomeric SMILES

C/C=C/C[C@H](C)C(=O)C1=C(C(=C(N=C1[O-])OC)OC)[O-]

InChI

InChI=1S/C14H19NO5/c1-5-6-7-8(2)10(16)9-11(17)12(19-3)14(20-4)15-13(9)18/h5-6,8H,7H2,1-4H3,(H2,15,17,18)/p-2/b6-5+/t8-/m0/s1