[1,6-bis-(4-methylphenyl)sulfonyloxy-3,4,5-tris(phenylcarbonyloxy)hexan-2-yl] benzoate

Systemtic Name: [1,6-bis-(4-methylphenyl)sulfonyloxy-3,4,5-tris(phenylcarbonyloxy)hexan-2-yl] benzoate Openeye Name: [2,3,4-tribenzoyloxy-5-(p-tolylsulfonyloxy)-1-(p-tolylsulfonyloxymethyl)pentyl] benzoate CAS Name: benzoic acid [3,4,5-tribenzoyloxy-1,6-bis-(4-methylphenyl)sulfonyloxyhexan-2-yl] ester IUPAC Name: [3,4,5-tribenzoyloxy-1,6-bis-(4-methylphenyl)sulfonyloxyhexan-2-yl] benzoate Traditional Name: benzoic acid [2,3,4-tribenzoyloxy-5-tosyloxy-1-(tosyloxymethyl)pentyl] ester Formula: C48H42O14S2 MolecularWeight: 906.96868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(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)OC(=O)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(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)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C48H42O14S2/c1-33-23-27-39(28-24-33)63(53,54)57-31-41(59-45(49)35-15-7-3-8-16-35)43(61-47(51)37-19-11-5-12-20-37)44(62-48(52)38-21-13-6-14-22-38)42(60-46(50)36-17-9-4-10-18-36)32-58-64(55,56)40-29-25-34(2)26-30-40/h3-30,41-44H,31-32H2,1-2H3