[6-methoxy-4-(4-methylphenyl)sulfonyloxy-5-(phenylcarbonyloxy)oxan-3-yl] 3,5-dinitrobenzoate

Systemtic Name: [6-methoxy-4-(4-methylphenyl)sulfonyloxy-5-(phenylcarbonyloxy)oxan-3-yl] 3,5-dinitrobenzoate Openeye Name: [5-benzoyloxy-6-methoxy-4-(p-tolylsulfonyloxy)tetrahydropyran-3-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [5-benzoyloxy-6-methoxy-4-(4-methylphenyl)sulfonyloxy-3-oxanyl] ester IUPAC Name: [5-benzoyloxy-6-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (5-benzoyloxy-6-methoxy-4-tosyloxy-tetrahydropyran-3-yl) ester Formula: C27H24N2O13S MolecularWeight: 616.55006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(COC(C2OC(=O)C3=CC=CC=C3)OC)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C(COC(C2OC(=O)C3=CC=CC=C3)OC)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H24N2O13S/c1-16-8-10-21(11-9-16)43(36,37)42-23-22(40-26(31)18-12-19(28(32)33)14-20(13-18)29(34)35)15-39-27(38-2)24(23)41-25(30)17-6-4-3-5-7-17/h3-14,22-24,27H,15H2,1-2H3