[2,3,4,5-tetrakis-(4-methylphenyl)sulfonyloxy-6-(phenylcarbonyloxy)hexyl] benzoate

Systemtic Name: [2,3,4,5-tetrakis-(4-methylphenyl)sulfonyloxy-6-(phenylcarbonyloxy)hexyl] benzoate Openeye Name: [6-benzoyloxy-2,3,4,5-tetrakis(p-tolylsulfonyloxy)hexyl] benzoate CAS Name: benzoic acid [6-benzoyloxy-2,3,4,5-tetrakis-(4-methylphenyl)sulfonyloxyhexyl] ester IUPAC Name: [6-benzoyloxy-2,3,4,5-tetrakis-(4-methylphenyl)sulfonyloxyhexyl] benzoate Traditional Name: benzoic acid (6-benzoyloxy-2,3,4,5-tetratosyloxy-hexyl) ester Formula: C48H46O16S4 MolecularWeight: 1007.12924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(COC(=O)C2=CC=CC=C2)C(C(C(COC(=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)C)OS(=O)(=O)C5=CC=C(C=C5)C)OS(=O)(=O)C6=CC=C(C=C6)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(COC(=O)C2=CC=CC=C2)C(C(C(COC(=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)C)OS(=O)(=O)C5=CC=C(C=C5)C)OS(=O)(=O)C6=CC=C(C=C6)C

InChI

InChI=1S/C48H46O16S4/c1-33-15-23-39(24-16-33)65(51,52)61-43(31-59-47(49)37-11-7-5-8-12-37)45(63-67(55,56)41-27-19-35(3)20-28-41)46(64-68(57,58)42-29-21-36(4)22-30-42)44(32-60-48(50)38-13-9-6-10-14-38)62-66(53,54)40-25-17-34(2)18-26-40/h5-30,43-46H,31-32H2,1-4H3