methoxybenzene; 5-methylhexan-2-one

Systemtic Name: methoxybenzene; 5-methylhexan-2-one Openeye Name: anisole; 5-methylhexan-2-one CAS Name: methoxybenzene; 5-methyl-2-hexanone IUPAC Name: anisole; 5-methylhexan-2-one Traditional Name: anisole; 5-methylhexan-2-one Formula: C14H22O2 MolecularWeight: 222.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)C.COC1=CC=CC=C1

Isomeric SMILES

CC(C)CCC(=O)C.COC1=CC=CC=C1

InChI

InChI=1S/C7H8O.C7H14O/c1-8-7-5-3-2-4-6-7;1-6(2)4-5-7(3)8/h2-6H,1H3;6H,4-5H2,1-3H3