diethyl 3-tert-butyl-6-(4-oxidanylidene-4-phenylmethoxy-butyl)benzene-1,2-dicarboxylate

Systemtic Name: diethyl 3-tert-butyl-6-(4-oxidanylidene-4-phenylmethoxy-butyl)benzene-1,2-dicarboxylate Openeye Name: diethyl 3-(4-benzyloxy-4-oxo-butyl)-6-tert-butyl-benzene-1,2-dicarboxylate CAS Name: 3-tert-butyl-6-(4-oxo-4-phenylmethoxybutyl)benzene-1,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-tert-butyl-6-(4-oxo-4-phenylmethoxybutyl)benzene-1,2-dicarboxylate Traditional Name: 3-(4-benzoxy-4-keto-butyl)-6-tert-butyl-benzene-1,2-dicarboxylic acid diethyl ester Formula: C27H34O6 MolecularWeight: 454.55526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1C(=O)OCC)C(C)(C)C)CCCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1C(=O)OCC)C(C)(C)C)CCCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H34O6/c1-6-31-25(29)23-20(14-11-15-22(28)33-18-19-12-9-8-10-13-19)16-17-21(27(3,4)5)24(23)26(30)32-7-2/h8-10,12-13,16-17H,6-7,11,14-15,18H2,1-5H3