tert-butyl 2-[4-(3-oxidanylideneheptanoyloxymethyl)phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-(3-oxidanylideneheptanoyloxymethyl)phenyl]benzoate Openeye Name: tert-butyl 2-[4-(3-oxoheptanoyloxymethyl)phenyl]benzoate CAS Name: 2-[4-(1,3-dioxoheptoxymethyl)phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(3-oxoheptanoyloxymethyl)phenyl]benzoate Traditional Name: 2-[4-(3-ketoheptanoyloxymethyl)phenyl]benzoic acid tert-butyl ester Formula: C25H30O5 MolecularWeight: 410.5027

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CC(=O)OCC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC(=O)CC(=O)OCC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC(C)(C)C

InChI

InChI=1S/C25H30O5/c1-5-6-9-20(26)16-23(27)29-17-18-12-14-19(15-13-18)21-10-7-8-11-22(21)24(28)30-25(2,3)4/h7-8,10-15H,5-6,9,16-17H2,1-4H3