methyl 4-(2-methyl-1-oxidanylidene-butan-2-yl)benzoate

Systemtic Name: methyl 4-(2-methyl-1-oxidanylidene-butan-2-yl)benzoate Openeye Name: methyl 4-(1-formyl-1-methyl-propyl)benzoate CAS Name: 4-(2-methyl-1-oxobutan-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-methyl-1-oxobutan-2-yl)benzoate Traditional Name: 4-(1-formyl-1-methyl-propyl)benzoic acid methyl ester Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3/c1-4-13(2,9-14)11-7-5-10(6-8-11)12(15)16-3/h5-9H,4H2,1-3H3