Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Tocopherols 1406-66-2 14986
Structure Other Information
Canonical SMILES CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)O
Iso SMILES CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)O
InChI InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3
InChI Key QUEDXNHFTDJVIY-UHFFFAOYSA-N
Formula C28H48O2
Mol Weight 416.68
XlogP3 10.3
Charge 0

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Synonyms Information
CAS Name 2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol
IUPAC Name 2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol
Openeye Name 2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
Systematic Name 2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
Tratitional Name 2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol