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TTO

Summary
Name:(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-ARSONIUM
Formula:C24 H20 As O2
Formal charge:1
Formula weight:415.336 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3,4-dihydroxyphenyl)(triphenyl)arsonium
OpenEye OEToolkits1.5.0(3,4-dihydroxyphenyl)-triphenyl-arsanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Oc1cc(ccc1O)[As+](c2ccccc2)(c3ccccc3)c4ccccc4
SMILES_CANONICALCACTVS3.341Oc1ccc(cc1O)[As+](c2ccccc2)(c3ccccc3)c4ccccc4
SMILESCACTVS3.341Oc1ccc(cc1O)[As+](c2ccccc2)(c3ccccc3)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccc(c(c4)O)O
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccc(c(c4)O)O
InChIInChI1.03InChI=1S/C24H19AsO2/c26-23-17-16-22(18-24(23)27)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H,(H-,26,27)/p+1
InChIKeyInChI1.03AYGYLFIDAXGERM-UHFFFAOYSA-O

227111

PDB entries from 2024-11-06

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