4-[4-[3-[4-(3,4-dicarboxyphenyl)-3,5-dimethyl-phenyl]pentan-3-yl]-2,6-dimethyl-phenyl]phthalic acid

Systemtic Name: 4-[4-[3-[4-(3,4-dicarboxyphenyl)-3,5-dimethyl-phenyl]pentan-3-yl]-2,6-dimethyl-phenyl]phthalic acid Openeye Name: 4-[4-[1-[4-(3,4-dicarboxyphenyl)-3,5-dimethyl-phenyl]-1-ethyl-propyl]-2,6-dimethyl-phenyl]phthalic acid CAS Name: 4-[4-[3-[4-(3,4-dicarboxyphenyl)-3,5-dimethylphenyl]pentan-3-yl]-2,6-dimethylphenyl]phthalic acid IUPAC Name: 4-[4-[3-[4-(3,4-dicarboxyphenyl)-3,5-dimethylphenyl]pentan-3-yl]-2,6-dimethylphenyl]phthalic acid Traditional Name: 4-[4-[1-[4-(3,4-dicarboxyphenyl)-3,5-dimethyl-phenyl]-1-ethyl-propyl]-2,6-dimethyl-phenyl]phthalic acid Formula: C37H36O8 MolecularWeight: 608.67694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C(=C1)C)C2=CC(=C(C=C2)C(=O)O)C(=O)O)C)C3=CC(=C(C(=C3)C)C4=CC(=C(C=C4)C(=O)O)C(=O)O)C

Isomeric SMILES

CCC(CC)(C1=CC(=C(C(=C1)C)C2=CC(=C(C=C2)C(=O)O)C(=O)O)C)C3=CC(=C(C(=C3)C)C4=CC(=C(C=C4)C(=O)O)C(=O)O)C

InChI

InChI=1S/C37H36O8/c1-7-37(8-2,25-13-19(3)31(20(4)14-25)23-9-11-27(33(38)39)29(17-23)35(42)43)26-15-21(5)32(22(6)16-26)24-10-12-28(34(40)41)30(18-24)36(44)45/h9-18H,7-8H2,1-6H3,(H,38,39)(H,40,41)(H,42,43)(H,44,45)