(4-methanoyl-2-methoxy-1-nitro-cyclohexa-2,5-dien-1-yl) methanesulfonate

Systemtic Name: (4-methanoyl-2-methoxy-1-nitro-cyclohexa-2,5-dien-1-yl) methanesulfonate Openeye Name: (4-formyl-2-methoxy-1-nitro-cyclohexa-2,5-dien-1-yl) methanesulfonate CAS Name: methanesulfonic acid (4-formyl-2-methoxy-1-nitro-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (4-formyl-2-methoxy-1-nitrocyclohexa-2,5-dien-1-yl) methanesulfonate Traditional Name: methanesulfonic acid (4-formyl-2-methoxy-1-nitro-cyclohexa-2,5-dien-1-yl) ester Formula: C9H11NO7S MolecularWeight: 277.25114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(C=CC1([N+](=O)[O-])OS(=O)(=O)C)C=O

Isomeric SMILES

COC1=CC(C=CC1([N+](=O)[O-])OS(=O)(=O)C)C=O

InChI

InChI=1S/C9H11NO7S/c1-16-8-5-7(6-11)3-4-9(8,10(12)13)17-18(2,14)15/h3-7H,1-2H3