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(Q82074433)
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English
(3S,4R/S,6R)-lomevactone
group of stereoisomers
AC1L7CFX
(3S,6R)-4-(4-chlorophenyl)-6-methyl-3-phenyloxan-2-one
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Statements
instance of
group of stereoisomers
0 references
subclass of
lomevactone
0 references
mass
300.091707464
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₇ClO₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1CC(C(C(=O)O1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl
0 references
isomeric SMILES
C[C@@H]1CC([C@H](C(=O)O1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl
0 references
Identifiers
InChI
InChI=1S/C18H17ClO2/c1-12-11-16(13-7-9-15(19)10-8-13)17(18(20)21-12)14-5-3-2-4-6-14/h2-10,12,16-17H,11H2,1H3/t12-,16?,17-/m1/s1
0 references
InChIKey
QSAFSJAOPPHPTK-SCWIMFDPSA-N
0 references
CAS Registry Number
75115-74-1
reason for deprecated rank
applies to other chemical entity
1 reference
stated in
SciFinder
PubChem CID
333064
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
49425378
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80318594
0 references
DSSTOX compound identifier
DTXCID60269717
0 references
NSC number
332790
0 references
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