[6-methoxy-2-methyl-4-(4-methylphenyl)sulfonyloxy-oxan-3-yl] 4-nitrobenzoate

Systemtic Name: [6-methoxy-2-methyl-4-(4-methylphenyl)sulfonyloxy-oxan-3-yl] 4-nitrobenzoate Openeye Name: [6-methoxy-2-methyl-4-(p-tolylsulfonyloxy)tetrahydropyran-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [6-methoxy-2-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxanyl] ester IUPAC Name: [6-methoxy-2-methyl-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (6-methoxy-2-methyl-4-tosyloxy-tetrahydropyran-3-yl) ester Formula: C21H23NO9S MolecularWeight: 465.47362

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC)OS(=O)(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1C(C(CC(O1)OC)OS(=O)(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23NO9S/c1-13-4-10-17(11-5-13)32(26,27)31-18-12-19(28-3)29-14(2)20(18)30-21(23)15-6-8-16(9-7-15)22(24)25/h4-11,14,18-20H,12H2,1-3H3