methyl 2-(1,3-benzodioxol-5-yloxymethyl)-5-bromanyl-benzoate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yloxymethyl)-5-bromanyl-benzoate Openeye Name: methyl 2-(1,3-benzodioxol-5-yloxymethyl)-5-bromo-benzoate CAS Name: 2-(1,3-benzodioxol-5-yloxymethyl)-5-bromobenzoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yloxymethyl)-5-bromobenzoate Traditional Name: 2-(1,3-benzodioxol-5-yloxymethyl)-5-bromo-benzoic acid methyl ester Formula: C16H13BrO5 MolecularWeight: 365.17542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Br)COC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Br)COC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H13BrO5/c1-19-16(18)13-6-11(17)3-2-10(13)8-20-12-4-5-14-15(7-12)22-9-21-14/h2-7H,8-9H2,1H3