methyl benzoate; 1-phenylbutan-1-one

Systemtic Name: methyl benzoate; 1-phenylbutan-1-one Openeye Name: methyl benzoate; 1-phenylbutan-1-one CAS Name: benzoic acid methyl ester; 1-phenyl-1-butanone IUPAC Name: methyl benzoate; 1-phenylbutan-1-one Traditional Name: benzoic acid methyl ester; 1-phenylbutan-1-one Formula: C18H20O3 MolecularWeight: 284.3496

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=CC=C1.COC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCC(=O)C1=CC=CC=C1.COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H12O.C8H8O2/c1-2-6-10(11)9-7-4-3-5-8-9;1-10-8(9)7-5-3-2-4-6-7/h3-5,7-8H,2,6H2,1H3;2-6H,1H3