2-oxidanylidenepropyl 3-bromanyl-5-methoxy-4-phenylmethoxy-benzoate

Systemtic Name: 2-oxidanylidenepropyl 3-bromanyl-5-methoxy-4-phenylmethoxy-benzoate Openeye Name: acetonyl 4-benzyloxy-3-bromo-5-methoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-phenylmethoxybenzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 3-bromo-5-methoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-bromo-5-methoxy-benzoic acid acetonyl ester Formula: C18H17BrO5 MolecularWeight: 393.22858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OC

Isomeric SMILES

CC(=O)COC(=O)C1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C18H17BrO5/c1-12(20)10-24-18(21)14-8-15(19)17(16(9-14)22-2)23-11-13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3