Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
2-Methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione	84-80-0	4812

Structure

Other Information

Canonical SMILES	CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C
Iso SMILES	CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C
InChI	InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3
InChI Key	MBWXNTAXLNYFJB-UHFFFAOYSA-N
Formula	C31H46O2
Mol Weight	450.696
XlogP3	10.9
Charge	0

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Synonyms Information

CAS Name	2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione
IUPAC Name	2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione
Openeye Name	2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione
Systematic Name	2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione
Tratitional Name	2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione