4-[7-(3,4-dicarboxyphenyl)-2,7-dimethyl-octan-2-yl]phthalic acid

Systemtic Name: 4-[7-(3,4-dicarboxyphenyl)-2,7-dimethyl-octan-2-yl]phthalic acid Openeye Name: 4-[6-(3,4-dicarboxyphenyl)-1,1,6-trimethyl-heptyl]phthalic acid CAS Name: 4-[7-(3,4-dicarboxyphenyl)-2,7-dimethyloctan-2-yl]phthalic acid IUPAC Name: 4-[7-(3,4-dicarboxyphenyl)-2,7-dimethyloctan-2-yl]phthalic acid Traditional Name: 4-[6-(3,4-dicarboxyphenyl)-1,1,6-trimethyl-heptyl]phthalic acid Formula: C26H30O8 MolecularWeight: 470.5116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCC(C)(C)C1=CC(=C(C=C1)C(=O)O)C(=O)O)C2=CC(=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(CCCCC(C)(C)C1=CC(=C(C=C1)C(=O)O)C(=O)O)C2=CC(=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C26H30O8/c1-25(2,15-7-9-17(21(27)28)19(13-15)23(31)32)11-5-6-12-26(3,4)16-8-10-18(22(29)30)20(14-16)24(33)34/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)