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(Q82006463)
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English
4-(2-methylbutyl)phenyl 4-(octyloxy)benzoate
chemical compound
Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
396.5632
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₃₆O₃
0 references
canonical SMILES
CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CC(C)CC
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Identifiers
InChI
InChI=1S/C26H36O3/c1-4-6-7-8-9-10-19-28-24-17-13-23(14-18-24)26(27)29-25-15-11-22(12-16-25)20-21(3)5-2/h11-18,21H,4-10,19-20H2,1-3H3
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InChIKey
XSEXHHROOVDZBQ-UHFFFAOYSA-N
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CAS Registry Number
100545-63-9
reason for deprecated rank
withdrawn identifier value
1 reference
stated in
SciFinder
84236-44-2
1 reference
InChIKey
XSEXHHROOVDZBQ-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=84236-44-2
PubChem CID
112155
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
26549433
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90276116
0 references
DTXSID101004490
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DSSTOX compound identifier
DTXCID90227466
0 references
DTXCID60876400
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AICS Chemical ID (BEING DELETED)
30654
0 references
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