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

Systemtic Name: 3,4-bis(1,2,2,3-tetramethylcyclohexyl)phthalic acid Openeye Name: 3,4-bis(1,2,2,3-tetramethylcyclohexyl)phthalic acid CAS Name: 3,4-bis(1,2,2,3-tetramethylcyclohexyl)phthalic acid IUPAC Name: 3,4-bis(1,2,2,3-tetramethylcyclohexyl)phthalic acid Traditional Name: 3,4-bis(1,2,2,3-tetramethylcyclohexyl)phthalic acid Formula: C28H42O4 MolecularWeight: 442.63068

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1(C)C)(C)C2=C(C(=C(C=C2)C(=O)O)C(=O)O)C3(CCCC(C3(C)C)C)C

Isomeric SMILES

CC1CCCC(C1(C)C)(C)C2=C(C(=C(C=C2)C(=O)O)C(=O)O)C3(CCCC(C3(C)C)C)C

InChI

InChI=1S/C28H42O4/c1-17-11-9-15-27(7,25(17,3)4)20-14-13-19(23(29)30)21(24(31)32)22(20)28(8)16-10-12-18(2)26(28,5)6/h13-14,17-18H,9-12,15-16H2,1-8H3,(H,29,30)(H,31,32)