2,4-bis(2-methyl-3-oxidanyl-hexan-3-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis(2-methyl-3-oxidanyl-hexan-3-yl)benzene-1,3-dicarboxylic acid Openeye Name: 2,4-bis(1-hydroxy-1-isopropyl-butyl)benzene-1,3-dicarboxylic acid CAS Name: 2,4-bis(3-hydroxy-2-methylhexan-3-yl)benzene-1,3-dicarboxylic acid IUPAC Name: 2,4-bis(3-hydroxy-2-methylhexan-3-yl)benzene-1,3-dicarboxylic acid Traditional Name: 2,4-bis(1-hydroxy-1-isopropyl-butyl)isophthalic acid Formula: C22H34O6 MolecularWeight: 394.50176

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C(=C(C=C1)C(=O)O)C(CCC)(C(C)C)O)C(=O)O)(C(C)C)O

Isomeric SMILES

CCCC(C1=C(C(=C(C=C1)C(=O)O)C(CCC)(C(C)C)O)C(=O)O)(C(C)C)O

InChI

InChI=1S/C22H34O6/c1-7-11-21(27,13(3)4)16-10-9-15(19(23)24)18(17(16)20(25)26)22(28,12-8-2)14(5)6/h9-10,13-14,27-28H,7-8,11-12H2,1-6H3,(H,23,24)(H,25,26)