methyl 3-methyl-4-(4-oxidanylidenepentyl)benzoate

Systemtic Name: methyl 3-methyl-4-(4-oxidanylidenepentyl)benzoate Openeye Name: methyl 3-methyl-4-(4-oxopentyl)benzoate CAS Name: 3-methyl-4-(4-oxopentyl)benzoic acid methyl ester IUPAC Name: methyl 3-methyl-4-(4-oxopentyl)benzoate Traditional Name: 4-(4-ketopentyl)-3-methyl-benzoic acid methyl ester Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)CCCC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)CCCC(=O)C

InChI

InChI=1S/C14H18O3/c1-10-9-13(14(16)17-3)8-7-12(10)6-4-5-11(2)15/h7-9H,4-6H2,1-3H3