phenacyl 3-methyl-2-oxidanyl-pentanoate

Systemtic Name: phenacyl 3-methyl-2-oxidanyl-pentanoate Openeye Name: phenacyl 2-hydroxy-3-methyl-pentanoate CAS Name: 2-hydroxy-3-methylpentanoic acid phenacyl ester IUPAC Name: phenacyl 2-hydroxy-3-methylpentanoate Traditional Name: 2-hydroxy-3-methyl-valeric acid phenacyl ester Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4/c1-3-10(2)13(16)14(17)18-9-12(15)11-7-5-4-6-8-11/h4-8,10,13,16H,3,9H2,1-2H3