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O4-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl] O1-ethyl (E)-but-2-enedioate

O4-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name:O4-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl] O1-ethyl (E)-but-2-enedioate
Openeye Name:O4-[(6-bromo-1,3-benzodioxol-5-yl)methyl] O1-ethyl (E)-but-2-enedioate
CAS Name:(E)-2-butenedioic acid O4-[(6-bromo-1,3-benzodioxol-5-yl)methyl] ester O1-ethyl ester
IUPAC Name:4-O-[(6-bromo-1,3-benzodioxol-5-yl)methyl] 1-O-ethyl (E)-but-2-enedioate
Traditional Name:(E)-but-2-enedioic acid O4-[(6-bromo-1,3-benzodioxol-5-yl)methyl] ester O1-ethyl ester
Formula: C14H13BrO6
MolecularWeight: 357.15342
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC1=CC2=C(C=C1Br)OCO2


Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC1=CC2=C(C=C1Br)OCO2


InChI

InChI=1S/C14H13BrO6/c1-2-18-13(16)3-4-14(17)19-7-9-5-11-12(6-10(9)15)21-8-20-11/h3-6H,2,7-8H2,1H3/b4-3+


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