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(Q76009736)
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English
[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
388.107751452
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₁H₂₁ClO₅
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canonical SMILES
Cc1ccc(C(=O)OCC2OC(Cl)CC2OC(=O)c2ccc(C)cc2)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@H](O2)Cl)OC(=O)C3=CC=C(C=C3)C
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Identifiers
InChI
InChI=1S/C21H21ClO5/c1-13-3-7-15(8-4-13)20(23)25-12-18-17(11-19(22)26-18)27-21(24)16-9-5-14(2)6-10-16/h3-10,17-19H,11-12H2,1-2H3/t17-,18+,19-/m0/s1
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InChIKey
FJHSYOMVMMNQJQ-OTWHNJEPSA-N
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CAS Registry Number
4330-21-6
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
98571
1 reference
matched by identifier from
InChIKey
InChIKey
FJHSYOMVMMNQJQ-OTWHNJEPSA-N
UniChem compound ID
4124332
1 reference
stated in
UniChem
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