(6-bromanyl-1,3-benzodioxol-5-yl)methyl 3-phenylpropanoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 3-phenylpropanoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C17H15BrO4 MolecularWeight: 363.2026

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)COC(=O)CCC3=CC=CC=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)COC(=O)CCC3=CC=CC=C3)Br

InChI

InChI=1S/C17H15BrO4/c18-14-9-16-15(21-11-22-16)8-13(14)10-20-17(19)7-6-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10-11H2