3-(9-chloro-2-hydroxy-3-phenyl-6-oxabicyclo[5.4.0]undeca-8,10,12-trien-2-yl)propyl-dimethyl-azanium; (Z)-4-hydroxy-4-oxo-but-2-enoate
Molecular Formula:
C25H30ClNO6
InChI: InChI=1/C21H26ClNO2.C4H4O4/c1-23(2)13-6-12-21(24)18(16-7-4-3-5-8-16)11-14-25-20-15-17(22)9-10-19(20)21;5-3(6)1-2-4(7)8/h3-5,7-10,15,18,24H,6,11-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/fC21H27ClNO2.C4H3O4/h23H;5H/q+1;-1
InChIKey: InChIKey=JNGGGMNWFJFRQI-YOWWWELUDW
SMILES: C[NH+](C)CCCC1(C(CCOC2=C1C=CC(=C2)Cl)C3=CC=CC=C3)O.C(=CC(=O)[O-])C(=O)O
Names:
3-(9-chloro-2-hydroxy-3-phenyl-6-oxabicyclo[5.4.0]undeca-8,10,12-trien-2-yl)propyl-dimethyl-azanium; (Z)-4-hydroxy-4-oxo-but-2-enoate
Registries:
PubChem CID 6434256
PubChem ID 11620931
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