(3-acetyloxy-2-ethyl-hexyl) ethanoate; hexanedioic acid

Systemtic Name: (3-acetyloxy-2-ethyl-hexyl) ethanoate; hexanedioic acid Openeye Name: (3-acetoxy-2-ethyl-hexyl) acetate; adipic acid CAS Name: acetic acid (3-acetyloxy-2-ethylhexyl) ester; hexanedioic acid IUPAC Name: (3-acetyloxy-2-ethylhexyl) acetate; hexanedioic acid Traditional Name: acetic acid (3-acetoxy-2-ethyl-hexyl) ester; adipic acid Formula: C18H32O8 MolecularWeight: 376.44188

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)COC(=O)C)OC(=O)C.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CCCC(C(CC)COC(=O)C)OC(=O)C.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C12H22O4.C6H10O4/c1-5-7-12(16-10(4)14)11(6-2)8-15-9(3)13;7-5(8)3-1-2-4-6(9)10/h11-12H,5-8H2,1-4H3;1-4H2,(H,7,8)(H,9,10)