2,3-bis(oxidanyl)propyl octadecanoate; 2,3-diacetyloxybutanedioic acid

Systemtic Name: 2,3-bis(oxidanyl)propyl octadecanoate; 2,3-diacetyloxybutanedioic acid Openeye Name: 2,3-diacetoxybutanedioic acid; 2,3-dihydroxypropyl octadecanoate CAS Name: 2,3-diacetyloxybutanedioic acid; octadecanoic acid 2,3-dihydroxypropyl ester IUPAC Name: 2,3-diacetyloxybutanedioic acid; 2,3-dihydroxypropyl octadecanoate Traditional Name: 2,3-diacetoxysuccinic acid; stearic acid glyceryl ester Formula: C29H52O12 MolecularWeight: 592.71598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O.CC(=O)OC(C(C(=O)O)OC(=O)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O.CC(=O)OC(C(C(=O)O)OC(=O)C)C(=O)O

InChI

InChI=1S/C21H42O4.C8H10O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22;1-3(9)15-5(7(11)12)6(8(13)14)16-4(2)10/h20,22-23H,2-19H2,1H3;5-6H,1-2H3,(H,11,12)(H,13,14)