(3-nitro-2-phenyl-cyclohexa-1,3-dien-1-yl)methyl methanesulfonate

Systemtic Name: (3-nitro-2-phenyl-cyclohexa-1,3-dien-1-yl)methyl methanesulfonate Openeye Name: (3-nitro-2-phenyl-cyclohexa-1,3-dien-1-yl)methyl methanesulfonate CAS Name: methanesulfonic acid (3-nitro-2-phenyl-1-cyclohexa-1,3-dienyl)methyl ester IUPAC Name: (3-nitro-2-phenylcyclohexa-1,3-dien-1-yl)methyl methanesulfonate Traditional Name: methanesulfonic acid (3-nitro-2-phenyl-cyclohexa-1,3-dien-1-yl)methyl ester Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1=C(C(=CCC1)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)OCC1=C(C(=CCC1)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C14H15NO5S/c1-21(18,19)20-10-12-8-5-9-13(15(16)17)14(12)11-6-3-2-4-7-11/h2-4,6-7,9H,5,8,10H2,1H3