butane-1,3-diol; dimethyl 2-(2-ethylhexyl)pentanedioate; dimethyl hexanedioate

Systemtic Name: butane-1,3-diol; dimethyl 2-(2-ethylhexyl)pentanedioate; dimethyl hexanedioate Openeye Name: butane-1,3-diol; dimethyl 2-(2-ethylhexyl)pentanedioate; dimethyl hexanedioate CAS Name: butane-1,3-diol; 2-(2-ethylhexyl)pentanedioic acid dimethyl ester; hexanedioic acid dimethyl ester IUPAC Name: butane-1,3-diol; dimethyl 2-(2-ethylhexyl)pentanedioate; dimethyl hexanedioate Traditional Name: adipic acid dimethyl ester; butane-1,3-diol; 2-(2-ethylhexyl)glutaric acid dimethyl ester Formula: C27H52O10 MolecularWeight: 536.69578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CCC(=O)OC)C(=O)OC.CC(CCO)O.COC(=O)CCCCC(=O)OC

Isomeric SMILES

CCCCC(CC)CC(CCC(=O)OC)C(=O)OC.CC(CCO)O.COC(=O)CCCCC(=O)OC

InChI

InChI=1S/C15H28O4.C8H14O4.C4H10O2/c1-5-7-8-12(6-2)11-13(15(17)19-4)9-10-14(16)18-3;1-11-7(9)5-3-4-6-8(10)12-2;1-4(6)2-3-5/h12-13H,5-11H2,1-4H3;3-6H2,1-2H3;4-6H,2-3H2,1H3