bis(2,2-dimethylpropanoyl) 2,4-bis[3-methoxy-4-(4-methylphenyl)sulfonyloxy-phenyl]cyclobutane-1,3-dicarboxylate

Systemtic Name: bis(2,2-dimethylpropanoyl) 2,4-bis[3-methoxy-4-(4-methylphenyl)sulfonyloxy-phenyl]cyclobutane-1,3-dicarboxylate Openeye Name: bis(2,2-dimethylpropanoyl) 2,4-bis[3-methoxy-4-(p-tolylsulfonyloxy)phenyl]cyclobutane-1,3-dicarboxylate CAS Name: 2,4-bis[3-methoxy-4-(4-methylphenyl)sulfonyloxyphenyl]cyclobutane-1,3-dicarboxylic acid bis(2,2-dimethyl-1-oxopropyl) ester IUPAC Name: bis(2,2-dimethylpropanoyl) 2,4-bis[3-methoxy-4-(4-methylphenyl)sulfonyloxyphenyl]cyclobutane-1,3-dicarboxylate Traditional Name: 2,4-bis(3-methoxy-4-tosyloxy-phenyl)cyclobutane-1,3-dicarboxylic acid dipivaloyl ester Formula: C44H48O14S2 MolecularWeight: 864.97352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3C(C(C3C(=O)OC(=O)C(C)(C)C)C4=CC(=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)C)OC)C(=O)OC(=O)C(C)(C)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3C(C(C3C(=O)OC(=O)C(C)(C)C)C4=CC(=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)C)OC)C(=O)OC(=O)C(C)(C)C)OC

InChI

InChI=1S/C44H48O14S2/c1-25-11-17-29(18-12-25)59(49,50)57-31-21-15-27(23-33(31)53-9)35-37(39(45)55-41(47)43(3,4)5)36(38(35)40(46)56-42(48)44(6,7)8)28-16-22-32(34(24-28)54-10)58-60(51,52)30-19-13-26(2)14-20-30/h11-24,35-38H,1-10H3