2,3-di(butanoyloxy)propyl butanoate; 2,18-dimethyl-2-oxidanyl-nonadecanoic acid

Systemtic Name: 2,3-di(butanoyloxy)propyl butanoate; 2,18-dimethyl-2-oxidanyl-nonadecanoic acid Openeye Name: 2,3-di(butanoyloxy)propyl butanoate; 2-hydroxy-2,18-dimethyl-nonadecanoic acid CAS Name: butanoic acid 2,3-bis(1-oxobutoxy)propyl ester; 2-hydroxy-2,18-dimethylnonadecanoic acid IUPAC Name: 2,3-di(butanoyloxy)propyl butanoate; 2-hydroxy-2,18-dimethylnonadecanoic acid Traditional Name: butyric acid 2,3-dibutyryloxypropyl ester; 2-hydroxy-2,18-dimethyl-nonadecanoic acid Formula: C36H68O9 MolecularWeight: 644.91972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H42O3.C15H26O6/c1-19(2)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-21(3,24)20(22)23;1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h19,24H,4-18H2,1-3H3,(H,22,23);12H,4-11H2,1-3H3