3,4-bis(1,2,2-trimethylcyclohexyl)phthalic acid

Systemtic Name: 3,4-bis(1,2,2-trimethylcyclohexyl)phthalic acid Openeye Name: 3,4-bis(1,2,2-trimethylcyclohexyl)phthalic acid CAS Name: 3,4-bis(1,2,2-trimethylcyclohexyl)phthalic acid IUPAC Name: 3,4-bis(1,2,2-trimethylcyclohexyl)phthalic acid Traditional Name: 3,4-bis(1,2,2-trimethylcyclohexyl)phthalic acid Formula: C26H38O4 MolecularWeight: 414.57752

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1(C)C2=C(C(=C(C=C2)C(=O)O)C(=O)O)C3(CCCCC3(C)C)C)C

Isomeric SMILES

CC1(CCCCC1(C)C2=C(C(=C(C=C2)C(=O)O)C(=O)O)C3(CCCCC3(C)C)C)C

InChI

InChI=1S/C26H38O4/c1-23(2)13-7-9-15-25(23,5)18-12-11-17(21(27)28)19(22(29)30)20(18)26(6)16-10-8-14-24(26,3)4/h11-12H,7-10,13-16H2,1-6H3,(H,27,28)(H,29,30)