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(Q82818337)
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English
Methyl 1-(benzylsulfanyl)cyclohexane-1-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
264.11840088
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₂S
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canonical SMILES
COC(=O)C1(CCCCC1)SCC2=CC=CC=C2
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Identifiers
InChI
InChI=1S/C15H20O2S/c1-17-14(16)15(10-6-3-7-11-15)18-12-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3
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InChIKey
NPOOJTVFWFSAKP-UHFFFAOYSA-N
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CAS Registry Number
875143-54-7
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PubChem CID
71412663
1 reference
matched by identifier from
InChIKey
InChIKey
NPOOJTVFWFSAKP-UHFFFAOYSA-N
UniChem compound ID
55014563
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00832207
1 reference
matched by identifier from
InChIKey
InChIKey
NPOOJTVFWFSAKP-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90782949
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