O1,O5-ditert-butyl O3-(phenylmethyl) 3-ethanoylpentane-1,3,5-tricarboxylate

Systemtic Name: O1,O5-ditert-butyl O3-(phenylmethyl) 3-ethanoylpentane-1,3,5-tricarboxylate Openeye Name: O3-benzyl O1,O5-ditert-butyl 3-acetylpentane-1,3,5-tricarboxylate CAS Name: 3-acetylpentane-1,3,5-tricarboxylic acid O1,O5-ditert-butyl ester O3-(phenylmethyl) ester IUPAC Name: 3-O-benzyl 1-O,5-O-ditert-butyl 3-acetylpentane-1,3,5-tricarboxylate Traditional Name: 3-acetylpentane-1,3,5-tricarboxylic acid O3-benzyl ester O1,O5-ditert-butyl ester Formula: C25H36O7 MolecularWeight: 448.54914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(=O)C(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C25H36O7/c1-18(26)25(15-13-20(27)31-23(2,3)4,16-14-21(28)32-24(5,6)7)22(29)30-17-19-11-9-8-10-12-19/h8-12H,13-17H2,1-7H3