(E)-2,3-bis(3,3-dimethyl-2-oxidanyl-heptan-2-yl)but-2-enedioic acid

Systemtic Name: (E)-2,3-bis(3,3-dimethyl-2-oxidanyl-heptan-2-yl)but-2-enedioic acid Openeye Name: (E)-2,3-bis(1-hydroxy-1,2,2-trimethyl-hexyl)but-2-enedioic acid CAS Name: (E)-2,3-bis(2-hydroxy-3,3-dimethylheptan-2-yl)-2-butenedioic acid IUPAC Name: (E)-2,3-bis(2-hydroxy-3,3-dimethylheptan-2-yl)but-2-enedioic acid Traditional Name: (E)-2,3-bis(1-hydroxy-1,2,2-trimethyl-hexyl)but-2-enedioic acid Formula: C22H40O6 MolecularWeight: 400.5494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(C)(C(=C(C(=O)O)C(C)(C(C)(C)CCCC)O)C(=O)O)O

Isomeric SMILES

CCCCC(C)(C)C(C)(/C(=C(\C(=O)O)/C(C)(C(C)(C)CCCC)O)/C(=O)O)O

InChI

InChI=1S/C22H40O6/c1-9-11-13-19(3,4)21(7,27)15(17(23)24)16(18(25)26)22(8,28)20(5,6)14-12-10-2/h27-28H,9-14H2,1-8H3,(H,23,24)(H,25,26)/b16-15+