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(Q104964677)
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English
(3Z)-4-(2H-1,3-benzodioxol-5-ylmethyl)-3-(2H-1,3-benzodioxol-5-ylmethylidene)oxolan-2-one
group of stereoisomers with the chemical formula C₂₀H₁₆O₆
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
352.09468823199995
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₁₆O₆
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canonical SMILES
O=C1OCC(C1=CC2=CC=C3OCOC3=C2)CC4=CC=C5OCOC5=C4
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isomeric SMILES
O=C1OCC(Cc2ccc3c(c2)OCO3)/C1=C/c1ccc2c(c1)OCO2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,6-8,14H,5,9-11H2/b15-6-
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InChIKey
CMJGAYUQSLJSCR-UUASQNMZSA-N
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PubChem CID
6244260
1 reference
matched by identifier from
InChIKey
InChIKey
CMJGAYUQSLJSCR-UUASQNMZSA-N
DSSTox substance ID
DTXSID201019951
1 reference
matched by identifier from
InChIKey
InChIKey
CMJGAYUQSLJSCR-UUASQNMZSA-N
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