(2-methoxy-3,5-dimethyl-6-oxidanylidene-pyran-4-yl) 4-nitrobenzenesulfonate

Systemtic Name: (2-methoxy-3,5-dimethyl-6-oxidanylidene-pyran-4-yl) 4-nitrobenzenesulfonate Openeye Name: (2-methoxy-3,5-dimethyl-6-oxo-pyran-4-yl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2-methoxy-3,5-dimethyl-6-oxo-4-pyranyl) ester IUPAC Name: (2-methoxy-3,5-dimethyl-6-oxopyran-4-yl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2-keto-6-methoxy-3,5-dimethyl-pyran-4-yl) ester Formula: C14H13NO8S MolecularWeight: 355.31992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(OC1=O)OC)C)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(OC1=O)OC)C)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO8S/c1-8-12(9(2)14(21-3)22-13(8)16)23-24(19,20)11-6-4-10(5-7-11)15(17)18/h4-7H,1-3H3