phenacyl 5-bromanyl-2,3,4-trimethyl-benzoate

Systemtic Name: phenacyl 5-bromanyl-2,3,4-trimethyl-benzoate Openeye Name: phenacyl 5-bromo-2,3,4-trimethyl-benzoate CAS Name: 5-bromo-2,3,4-trimethylbenzoic acid phenacyl ester IUPAC Name: phenacyl 5-bromo-2,3,4-trimethylbenzoate Traditional Name: 5-bromo-2,3,4-trimethyl-benzoic acid phenacyl ester Formula: C18H17BrO3 MolecularWeight: 361.22978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1C)Br)C(=O)OCC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C(=CC(=C1C)Br)C(=O)OCC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C18H17BrO3/c1-11-12(2)15(9-16(19)13(11)3)18(21)22-10-17(20)14-7-5-4-6-8-14/h4-9H,10H2,1-3H3