O4-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl] O1-methyl benzene-1,4-dicarboxylate

Systemtic Name: O4-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[(6-bromo-1,3-benzodioxol-5-yl)methyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[(6-bromo-1,3-benzodioxol-5-yl)methyl] ester O1-methyl ester IUPAC Name: 4-O-[(6-bromo-1,3-benzodioxol-5-yl)methyl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[(6-bromo-1,3-benzodioxol-5-yl)methyl] ester O1-methyl ester Formula: C17H13BrO6 MolecularWeight: 393.18552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrO6/c1-21-16(19)10-2-4-11(5-3-10)17(20)22-8-12-6-14-15(7-13(12)18)24-9-23-14/h2-7H,8-9H2,1H3