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(Q82933311)
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English
6-Methoxy-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
444.396730904
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₃₀H₅₂O₂
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canonical SMILES
COc1c(C)c(C)c2c(c1C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC)C
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Identifiers
InChI
InChI=1S/C30H52O2/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-30(8)20-18-27-26(7)28(31-9)24(5)25(6)29(27)32-30/h21-23H,10-20H2,1-9H3/t22-,23-,30-/m1/s1
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InChIKey
SCLDYIHKBCFVTE-IQLGONJTSA-N
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CAS Registry Number
32466-45-8
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PubChem CID
182085
1 reference
matched by identifier from
InChIKey
InChIKey
SCLDYIHKBCFVTE-IQLGONJTSA-N
UniChem compound ID
24885425
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40954215
1 reference
matched by identifier from
InChIKey
InChIKey
SCLDYIHKBCFVTE-IQLGONJTSA-N
DSSTOX compound identifier
DTXCID001382241
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