O1-butyl O4-[4-(2-phenylpropan-2-yl)phenyl] 2,3,5,6-tetramethylbenzene-1,4-dicarboxylate

Systemtic Name: O1-butyl O4-[4-(2-phenylpropan-2-yl)phenyl] 2,3,5,6-tetramethylbenzene-1,4-dicarboxylate Openeye Name: O1-butyl O4-[4-(1-methyl-1-phenyl-ethyl)phenyl] 2,3,5,6-tetramethylbenzene-1,4-dicarboxylate CAS Name: 2,3,5,6-tetramethylbenzene-1,4-dicarboxylic acid O1-butyl ester O4-[4-(2-phenylpropan-2-yl)phenyl] ester IUPAC Name: 1-O-butyl 4-O-[4-(2-phenylpropan-2-yl)phenyl] 2,3,5,6-tetramethylbenzene-1,4-dicarboxylate Traditional Name: 2,3,5,6-tetramethylbenzene-1,4-dicarboxylic acid O1-butyl ester O4-(4-cumylphenyl) ester Formula: C31H36O4 MolecularWeight: 472.61514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C(=C(C(=C1C)C)C(=O)OC2=CC=C(C=C2)C(C)(C)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCCOC(=O)C1=C(C(=C(C(=C1C)C)C(=O)OC2=CC=C(C=C2)C(C)(C)C3=CC=CC=C3)C)C

InChI

InChI=1S/C31H36O4/c1-8-9-19-34-29(32)27-20(2)22(4)28(23(5)21(27)3)30(33)35-26-17-15-25(16-18-26)31(6,7)24-13-11-10-12-14-24/h10-18H,8-9,19H2,1-7H3