2,2-bis(3-methylbutyl)hexanedioate

Systemtic Name: 2,2-bis(3-methylbutyl)hexanedioate Openeye Name: 2,2-diisopentylhexanedioate CAS Name: 2,2-bis(3-methylbutyl)hexanedioate IUPAC Name: 2,2-bis(3-methylbutyl)hexanedioate Traditional Name: 2,2-diisoamyladipate Formula: C16H28O4-2 MolecularWeight: 284.39112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CCCC(=O)[O-])(CCC(C)C)C(=O)[O-]

Isomeric SMILES

CC(C)CCC(CCCC(=O)[O-])(CCC(C)C)C(=O)[O-]

InChI

InChI=1S/C16H30O4/c1-12(2)7-10-16(15(19)20,11-8-13(3)4)9-5-6-14(17)18/h12-13H,5-11H2,1-4H3,(H,17,18)(H,19,20)/p-2