Pyridinium bisretinoid A2E TFA
HIT217585019
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HIT ID: HIT217585019
Cas No: 1821308-73-9
分子式: C44H58F3NO3
分子量: 705.947
常用名: Pyridinium bisretinoid A2E TFA
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohex-1-en-1-yl)octa-1,3,5,7-tetraen-1-yl]-1-(2-hydroxyethyl)-4-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-1,3,5-trien-1-yl]pyridin-1-ium trifluoroacetate
IUPAC: 2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohex-1-en-1-yl)octa-1,3,5,7-tetraen-1-yl]-1-(2-hydroxyethyl)-4-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-1,3,5-trien-1-yl]pyridin-1-ium trifluoroacetate
SMILES: [O-]C(=O)C(F)(F)F.C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/c1cc(\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C)cc[n+]1CCO
SMILES: [O-]C(=O)C(F)(F)F.C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/c1cc(\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C)cc[n+]1CCO
InChI key: ZFPRGIJSRMWZMS-KFKWWMHDSA-M
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