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

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 3-methylbenzoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C16H13BrO4 MolecularWeight: 349.17602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C16H13BrO4/c1-10-3-2-4-11(5-10)16(18)19-8-12-6-14-15(7-13(12)17)21-9-20-14/h2-7H,8-9H2,1H3