(3,3-dimethyl-2-oxidanylidene-butyl) 4-[(3-methylphenoxy)methyl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-[(3-methylphenoxy)methyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-[(3-methylphenoxy)methyl]benzoate CAS Name: 4-[(3-methylphenoxy)methyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-[(3-methylphenoxy)methyl]benzoate Traditional Name: 4-[(3-methylphenoxy)methyl]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H24O4 MolecularWeight: 340.41286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C21H24O4/c1-15-6-5-7-18(12-15)24-13-16-8-10-17(11-9-16)20(23)25-14-19(22)21(2,3)4/h5-12H,13-14H2,1-4H3