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(Q104195741)
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English
5-chloro-3-(3,5-dimethylhepta-1,3-dienyl)-7-hydroxy-7-methyl-8-(2-oxopropyl)-8H-isochromen-6-one
group of stereoisomers with the chemical formula C₂₂H₂₇ClO₄
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
390.1597870239999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₇ClO₄
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canonical SMILES
O=C1C(Cl)=C2C=C(OC=C2C(CC(=O)C)C1(O)C)C=CC(=CC(C)CC)C
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Identifiers
InChI
InChI=1S/C22H27ClO4/c1-6-13(2)9-14(3)7-8-16-11-17-18(12-27-16)19(10-15(4)24)22(5,26)21(25)20(17)23/h7-9,11-13,19,26H,6,10H2,1-5H3
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InChIKey
QEPMTPAOVMUVBT-UHFFFAOYSA-N
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PubChem CID
73045720
1 reference
based on heuristic
inferred from InChIKey
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