2-(3-ethyloctan-3-yl)hexanedioic acid

Systemtic Name: 2-(3-ethyloctan-3-yl)hexanedioic acid Openeye Name: 2-(1,1-diethylhexyl)hexanedioic acid CAS Name: 2-(3-ethyloctan-3-yl)hexanedioic acid IUPAC Name: 2-(3-ethyloctan-3-yl)hexanedioic acid Traditional Name: 2-(1,1-diethylhexyl)adipic acid Formula: C16H30O4 MolecularWeight: 286.407

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)(CC)C(CCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCC(CC)(CC)C(CCCC(=O)O)C(=O)O

InChI

InChI=1S/C16H30O4/c1-4-7-8-12-16(5-2,6-3)13(15(19)20)10-9-11-14(17)18/h13H,4-12H2,1-3H3,(H,17,18)(H,19,20)