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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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