(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-oxidanylidene-4-phenyl-butanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-oxo-4-phenyl-butanoate CAS Name: 4-oxo-4-phenylbutanoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-oxo-4-phenylbutanoate Traditional Name: 4-keto-4-phenyl-butyric acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C19H17BrO5 MolecularWeight: 405.23928

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)CCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)CCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H17BrO5/c20-15-11-18-17(23-8-9-24-18)10-14(15)12-25-19(22)7-6-16(21)13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2