[4-(3-methoxy-2,2,6,6-tetramethyl-5-oxidanylidene-pyran-4-yl)carbonyl-3-nitro-phenyl] methanesulfonate

Systemtic Name: [4-(3-methoxy-2,2,6,6-tetramethyl-5-oxidanylidene-pyran-4-yl)carbonyl-3-nitro-phenyl] methanesulfonate Openeye Name: [4-(3-methoxy-2,2,6,6-tetramethyl-5-oxo-pyran-4-carbonyl)-3-nitro-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[(3-methoxy-2,2,6,6-tetramethyl-5-oxo-4-pyranyl)-oxomethyl]-3-nitrophenyl] ester IUPAC Name: [4-(3-methoxy-2,2,6,6-tetramethyl-5-oxopyran-4-carbonyl)-3-nitrophenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(3-keto-5-methoxy-2,2,6,6-tetramethyl-pyran-4-carbonyl)-3-nitro-phenyl] ester Formula: C18H21NO9S MolecularWeight: 427.42564

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(=O)C(O1)(C)C)C(=O)C2=C(C=C(C=C2)OS(=O)(=O)C)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1(C(=C(C(=O)C(O1)(C)C)C(=O)C2=C(C=C(C=C2)OS(=O)(=O)C)[N+](=O)[O-])OC)C

InChI

InChI=1S/C18H21NO9S/c1-17(2)15(21)13(16(26-5)18(3,4)28-17)14(20)11-8-7-10(27-29(6,24)25)9-12(11)19(22)23/h7-9H,1-6H3