[5-(4-methylsulfonylphenoxy)-4-(phenylcarbonyloxy)-6-phenylmethoxy-oxan-3-yl] benzoate

Systemtic Name: [5-(4-methylsulfonylphenoxy)-4-(phenylcarbonyloxy)-6-phenylmethoxy-oxan-3-yl] benzoate Openeye Name: [4-benzoyloxy-6-benzyloxy-5-(4-methylsulfonylphenoxy)tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [4-benzoyloxy-5-(4-methylsulfonylphenoxy)-6-phenylmethoxy-3-oxanyl] ester IUPAC Name: [4-benzoyloxy-5-(4-methylsulfonylphenoxy)-6-phenylmethoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [6-benzoxy-4-benzoyloxy-5-(4-mesylphenoxy)tetrahydropyran-3-yl] ester Formula: C33H30O9S MolecularWeight: 602.6509

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)OC2C(C(COC2OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OC2C(C(COC2OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H30O9S/c1-43(36,37)27-19-17-26(18-20-27)40-30-29(42-32(35)25-15-9-4-10-16-25)28(41-31(34)24-13-7-3-8-14-24)22-39-33(30)38-21-23-11-5-2-6-12-23/h2-20,28-30,33H,21-22H2,1H3