dimethyl hexanedioate; dimethyl pentanedioate; 2-oxidanylpropyl octadecanoate

Systemtic Name: dimethyl hexanedioate; dimethyl pentanedioate; 2-oxidanylpropyl octadecanoate Openeye Name: dimethyl hexanedioate; dimethyl pentanedioate; 2-hydroxypropyl octadecanoate CAS Name: hexanedioic acid dimethyl ester; octadecanoic acid 2-hydroxypropyl ester; pentanedioic acid dimethyl ester IUPAC Name: dimethyl hexanedioate; dimethyl pentanedioate; 2-hydroxypropyl octadecanoate Traditional Name: adipic acid dimethyl ester; glutaric acid dimethyl ester; stearic acid 2-hydroxypropyl ester Formula: C36H68O11 MolecularWeight: 676.91852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C)O.COC(=O)CCCCC(=O)OC.COC(=O)CCCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C)O.COC(=O)CCCCC(=O)OC.COC(=O)CCCC(=O)OC

InChI

InChI=1S/C21H42O3.C8H14O4.C7H12O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-19-20(2)22;1-11-7(9)5-3-4-6-8(10)12-2;1-10-6(8)4-3-5-7(9)11-2/h20,22H,3-19H2,1-2H3;3-6H2,1-2H3;3-5H2,1-2H3