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

Systemtic Name: 4-[4-[2-[4-(3,4-dicarboxyphenyl)-3,5-dimethyl-phenyl]butan-2-yl]-2,6-dimethyl-phenyl]phthalic acid Openeye Name: 4-[4-[1-[4-(3,4-dicarboxyphenyl)-3,5-dimethyl-phenyl]-1-methyl-propyl]-2,6-dimethyl-phenyl]phthalic acid CAS Name: 4-[4-[2-[4-(3,4-dicarboxyphenyl)-3,5-dimethylphenyl]butan-2-yl]-2,6-dimethylphenyl]phthalic acid IUPAC Name: 4-[4-[2-[4-(3,4-dicarboxyphenyl)-3,5-dimethylphenyl]butan-2-yl]-2,6-dimethylphenyl]phthalic acid Traditional Name: 4-[4-[1-[4-(3,4-dicarboxyphenyl)-3,5-dimethyl-phenyl]-1-methyl-propyl]-2,6-dimethyl-phenyl]phthalic acid Formula: C36H34O8 MolecularWeight: 594.65036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(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(C)(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/C36H34O8/c1-7-36(6,24-12-18(2)30(19(3)13-24)22-8-10-26(32(37)38)28(16-22)34(41)42)25-14-20(4)31(21(5)15-25)23-9-11-27(33(39)40)29(17-23)35(43)44/h8-17H,7H2,1-6H3,(H,37,38)(H,39,40)(H,41,42)(H,43,44)