(4-phenylphenyl) 3-methyl-2-oxidanylidene-pentanoate

Systemtic Name: (4-phenylphenyl) 3-methyl-2-oxidanylidene-pentanoate Openeye Name: (4-phenylphenyl) 3-methyl-2-oxo-pentanoate CAS Name: 3-methyl-2-oxopentanoic acid (4-phenylphenyl) ester IUPAC Name: (4-phenylphenyl) 3-methyl-2-oxopentanoate Traditional Name: 2-keto-3-methyl-valeric acid (4-phenylphenyl) ester Formula: C18H18O3 MolecularWeight: 282.33372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C(=O)OC1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CCC(C)C(=O)C(=O)OC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C18H18O3/c1-3-13(2)17(19)18(20)21-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3