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AC9

Summary
Name:TRISACETYLACETONATOCHROMIUM(III)
Formula:C15 H21 Cr O6
Formal charge:0
Formula weight:349.32 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72,4,8,10,13,15-hexamethyl-1,5$l^{3},7,11$l^{3},12,16$l^{3}-hexaoxa-6$l^{6}-chromaspiro[5.5^{6}.5^{6}]hexadeca-2,4,8,10,13,15-hexaene

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/3C5H8O2.Cr/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;
InChIKeyInChI1.06JWORPXLMBPOPPU-LNTINUHCSA-K
SMILES_CANONICALCACTVS3.385CC(=O)C=C(C)O[Cr](OC(=CC(=O)C)C)OC(=CC(=O)C)C
SMILESCACTVS3.385CC(=O)C=C(C)O[Cr](OC(=CC(=O)C)C)OC(=CC(=O)C)C
SMILES_CANONICALOpenEye OEToolkits2.0.7CC1=CC(=O[Cr]23(O1)(OC(=CC(=O2)C)C)OC(=CC(=O3)C)C)C
SMILESOpenEye OEToolkits2.0.7CC1=CC(=O[Cr]23(O1)(OC(=CC(=O2)C)C)OC(=CC(=O3)C)C)C

222415

PDB entries from 2024-07-10

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