phenacyl 4-methyl-3-oxidanyl-benzoate

Systemtic Name: phenacyl 4-methyl-3-oxidanyl-benzoate Openeye Name: phenacyl 3-hydroxy-4-methyl-benzoate CAS Name: 3-hydroxy-4-methylbenzoic acid phenacyl ester IUPAC Name: phenacyl 3-hydroxy-4-methylbenzoate Traditional Name: 3-hydroxy-4-methyl-benzoic acid phenacyl ester Formula: C16H14O4 MolecularWeight: 270.27996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C16H14O4/c1-11-7-8-13(9-14(11)17)16(19)20-10-15(18)12-5-3-2-4-6-12/h2-9,17H,10H2,1H3