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

Systemtic Name: 2,4-bis[3-methoxy-4-(4-methylphenyl)sulfonyloxy-phenyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[3-methoxy-4-(p-tolylsulfonyloxy)phenyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[3-methoxy-4-(4-methylphenyl)sulfonyloxyphenyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[3-methoxy-4-(4-methylphenyl)sulfonyloxyphenyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis(3-methoxy-4-tosyloxy-phenyl)cyclobutane-1,3-dicarboxylic acid Formula: C34H32O12S2 MolecularWeight: 696.74068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H32O12S2/c1-19-5-11-23(12-6-19)47(39,40)45-25-15-9-21(17-27(25)43-3)29-31(33(35)36)30(32(29)34(37)38)22-10-16-26(28(18-22)44-4)46-48(41,42)24-13-7-20(2)8-14-24/h5-18,29-32H,1-4H3,(H,35,36)(H,37,38)