Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
(3As,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one	477-43-0	44559586

Structure

Other Information

Canonical SMILES	C=C1CCC2C(C3C1CCC3=C)OC(=O)C2=C
Iso SMILES	C=C1CC[C@@H]2[C@@H](C3C1CCC3=C)OC(=O)C2=C
InChI	InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11?,12-,13?,14-/m0/s1
InChI Key	NETSQGRTUNRXEO-YIOUJQMASA-N
Formula	C15H18O2
Mol Weight	230.302
XlogP3	2.6
Charge	0

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Synonyms Information

CAS Name	(3aS,9bS)-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
IUPAC Name	(3aS,9bS)-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
Openeye Name	(3aS,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
Systematic Name	(3aS,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
Tratitional Name	(3aS,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one