[1,5-bis-(4-methylphenyl)sulfonyloxy-3,4-bis(phenylcarbonyloxy)pentan-2-yl] benzoate

Systemtic Name: [1,5-bis-(4-methylphenyl)sulfonyloxy-3,4-bis(phenylcarbonyloxy)pentan-2-yl] benzoate Openeye Name: [2,3-dibenzoyloxy-4-(p-tolylsulfonyloxy)-1-(p-tolylsulfonyloxymethyl)butyl] benzoate CAS Name: benzoic acid [3,4-dibenzoyloxy-1,5-bis-(4-methylphenyl)sulfonyloxypentan-2-yl] ester IUPAC Name: [3,4-dibenzoyloxy-1,5-bis-(4-methylphenyl)sulfonyloxypentan-2-yl] benzoate Traditional Name: benzoic acid [2,3-dibenzoyloxy-4-tosyloxy-1-(tosyloxymethyl)butyl] ester Formula: C40H36O12S2 MolecularWeight: 772.83664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(COS(=O)(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(COS(=O)(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C40H36O12S2/c1-28-18-22-33(23-19-28)53(44,45)48-26-35(50-38(41)30-12-6-3-7-13-30)37(52-40(43)32-16-10-5-11-17-32)36(51-39(42)31-14-8-4-9-15-31)27-49-54(46,47)34-24-20-29(2)21-25-34/h3-25,35-37H,26-27H2,1-2H3