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

Systemtic Name: [2-methoxy-3-nitro-4-[(2,2,6,6-tetramethyl-3H-pyran-5-yl)carbonyl]phenyl] methanesulfonate Openeye Name: [2-methoxy-3-nitro-4-(2,2,6,6-tetramethyl-3H-pyran-5-carbonyl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-3-nitro-4-[oxo-(2,2,6,6-tetramethyl-3H-pyran-5-yl)methyl]phenyl] ester IUPAC Name: [2-methoxy-3-nitro-4-(2,2,6,6-tetramethyl-3H-pyran-5-carbonyl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-methoxy-3-nitro-4-(2,2,6,6-tetramethyl-3H-pyran-5-carbonyl)phenyl] ester Formula: C18H23NO8S MolecularWeight: 413.44212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO8S/c1-17(2)10-9-12(18(3,4)27-17)15(20)11-7-8-13(26-28(6,23)24)16(25-5)14(11)19(21)22/h7-9H,10H2,1-6H3