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English
3-(4'-Methylbenzylidene)camphor
chemical compound
4MBC
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Statements
instance of
type of chemical entity
0 references
subclass of
4-methylbenzylidene camphor
1 reference
based on heuristic
inferred from SMILES
mass
254.167065324
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₂O
0 references
canonical SMILES
Cc1ccc(/C=C2/C(=O)C3(C)CCC2C3(C)C)cc1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
Cc1ccc(/C=C2/C(=O)C3(C)CCC2C3(C)C)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3/b14-11+
0 references
InChIKey
HEOCBCNFKCOKBX-SDNWHVSQSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
38102-62-4
0 references
PubChem CID
6434217
1 reference
matched by identifier from
InChIKey
InChIKey
HEOCBCNFKCOKBX-SDNWHVSQSA-N
ChEBI ID
135937
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3/b14-11+
SureChEMBL ID
SCHEMBL83245
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HEOCBCNFKCOKBX-SDNWHVSQSA-N
DrugBank ID
DB11219
1 reference
matched by identifier from
InChIKey
InChIKey
HEOCBCNFKCOKBX-SDNWHVSQSA-N
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