Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
4-Methylbenzylidene-camphor	36861-47-9	38988322

Structure

Other Information

Canonical SMILES	CC1=CC=C(C=C1)C=C2C3CCC(C2=O)(C3(C)C)C
Iso SMILES	CC1=CC=C(C=C1)/C=C2/[C@H]3CC[C@@](C2=O)(C3(C)C)C
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-/t15-,18+/m1/s1
InChI Key	HEOCBCNFKCOKBX-LBONJMQPSA-N
Formula	C18H22O
Mol Weight	254.367
XlogP3	4.5
Charge	0

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Synonyms Information

CAS Name	(1S,2Z,4R)-4,7,7-trimethyl-2-[(4-methylphenyl)methylidene]-3-bicyclo[2.2.1]heptanone
IUPAC Name	(1R,3Z,4S)-1,7,7-trimethyl-3-(p-tolylmethylene)norbornan-2-one
Openeye Name	(1S,2Z,4R)-4,7,7-trimethyl-2-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-3-one
Systematic Name	(1S,2Z,4R)-4,7,7-trimethyl-2-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-3-one
Tratitional Name	(1S,2Z,4R)-4,7,7-trimethyl-2-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-3-one