Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Phytonadiol 572-96-3 5280585
Structure Other Information
Canonical SMILES CC1=C(C2=CC=CC=C2C(=C1CC=C(C)CCCC(C)CCCC(C)CCCC(C)C)O)O
Iso SMILES CC1=C(C2=CC=CC=C2C(=C1C/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)O
InChI InChI=1S/C31H48O2/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/h7-8,18-20,22-24,32-33H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1
InChI Key BUFJIHPUGZHTHL-NKFFZRIASA-N
Formula C31H48O2
Mol Weight 452.712
XlogP3 11.9
Charge 0

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Synonyms Information
CAS Name 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-diol
IUPAC Name 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-diol
Openeye Name 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-diol
Systematic Name 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-diol
Tratitional Name 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-diol