[2-(hydroxymethyl)-6-methoxy-5-(4-methylphenyl)sulfonyloxy-3-oxidanyl-oxan-4-yl] 4-nitrobenzoate

Systemtic Name: [2-(hydroxymethyl)-6-methoxy-5-(4-methylphenyl)sulfonyloxy-3-oxidanyl-oxan-4-yl] 4-nitrobenzoate Openeye Name: [3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(p-tolylsulfonyloxy)tetrahydropyran-4-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(4-methylphenyl)sulfonyloxy-4-oxanyl] ester IUPAC Name: [3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(4-methylphenyl)sulfonyloxyoxan-4-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (5-hydroxy-2-methoxy-6-methylol-3-tosyloxy-tetrahydropyran-4-yl) ester Formula: C21H23NO11S MolecularWeight: 497.47242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(C(OC2OC)CO)O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(C(OC2OC)CO)O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23NO11S/c1-12-3-9-15(10-4-12)34(28,29)33-19-18(17(24)16(11-23)31-21(19)30-2)32-20(25)13-5-7-14(8-6-13)22(26)27/h3-10,16-19,21,23-24H,11H2,1-2H3