Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Aquasol E	77171-98-3	6560141

Structure

Other Information

Canonical SMILES	CC1=C(C(=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O
Iso SMILES	CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C)O
InChI	InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29+/m0/s1
InChI Key	GVJHHUAWPYXKBD-IHMCZWCLSA-N
Formula	C29H50O2
Mol Weight	430.706
XlogP3	10.7
Charge	0

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Synonyms Information

CAS Name	(2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol
IUPAC Name	(2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]chroman-6-ol
Openeye Name	(2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
Systematic Name	(2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
Tratitional Name	(2R)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol