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UAJ

Summary
Name:Chlorophacinone
Synonyms:2-[(2R)-2-(4-chlorophenyl)-2-phenylacetyl]-1H-indene-1,3(2H)-dione
Formula:C23 H15 Cl O3
Formal charge:0
Formula weight:374.816 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[(2R)-2-(4-chlorophenyl)-2-phenylacetyl]-1H-indene-1,3(2H)-dione
OpenEye OEToolkits2.0.72-[(2~{R})-2-(4-chlorophenyl)-2-phenyl-ethanoyl]indene-1,3-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1ccc(cc1)C(C(C3C(=O)c2ccccc2C3=O)=O)c4ccc(Cl)cc4
InChIInChI1.03InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H/t19-/m1/s1
InChIKeyInChI1.03UDHXJZHVNHGCEC-LJQANCHMSA-N
SMILES_CANONICALCACTVS3.385Clc1ccc(cc1)[C@H](C(=O)C2C(=O)c3ccccc3C2=O)c4ccccc4
SMILESCACTVS3.385Clc1ccc(cc1)[CH](C(=O)C2C(=O)c3ccccc3C2=O)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)[C@H](c2ccc(cc2)Cl)C(=O)C3C(=O)c4ccccc4C3=O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)C(c2ccc(cc2)Cl)C(=O)C3C(=O)c4ccccc4C3=O

223166

건을2024-07-31부터공개중

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