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(Q82751797)
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English
(1S,3S,6R)-3,7,7-Trimethylbicyclo[4.1.0]heptane-3-thiol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
carane monoterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
170.112921576
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₀H₁₈S
0 references
canonical SMILES
CC1(S)CCC2C(C1)C2(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@]1(CC[C@@H]2[C@H](C1)C2(C)C)S
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Identifiers
InChI
InChI=1S/C10H18S/c1-9(2)7-4-5-10(3,11)6-8(7)9/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1
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InChIKey
VQPFDIQDJINXDY-WEDXCCLWSA-N
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CAS Registry Number
402914-79-8
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PubChem CID
71362243
1 reference
matched by identifier from
InChIKey
InChIKey
VQPFDIQDJINXDY-WEDXCCLWSA-N
UniChem compound ID
68238270
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90785879
1 reference
matched by identifier from
InChIKey
InChIKey
VQPFDIQDJINXDY-WEDXCCLWSA-N
DSSTOX compound identifier
DTXCID70736622
0 references
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