(6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-methylbenzoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-methylbenzoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-methylbenzoate Traditional Name: 2-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=C1C(=O)OCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC2=CC3=C(C=C2Br)OCO3

InChI

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