2,3-di(butanoyloxy)propyl butanoate; 3-phenylbutanoate

Systemtic Name: 2,3-di(butanoyloxy)propyl butanoate; 3-phenylbutanoate Openeye Name: 2,3-di(butanoyloxy)propyl butanoate; 3-phenylbutanoate CAS Name: butanoic acid 2,3-bis(1-oxobutoxy)propyl ester; 3-phenylbutanoate IUPAC Name: 2,3-di(butanoyloxy)propyl butanoate; 3-phenylbutanoate Traditional Name: butyric acid 2,3-dibutyryloxypropyl ester; 3-phenylbutyrate Formula: C25H37O8- MolecularWeight: 465.55648

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC.CC(CC(=O)[O-])C1=CC=CC=C1

Isomeric SMILES

CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC.CC(CC(=O)[O-])C1=CC=CC=C1

InChI

InChI=1S/C15H26O6.C10H12O2/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2;1-8(7-10(11)12)9-5-3-2-4-6-9/h12H,4-11H2,1-3H3;2-6,8H,7H2,1H3,(H,11,12)/p-1