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A15

Summary
Name:3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-1-ONE
Synonyms:A156
Formula:C24 H14 Cl2 O4
Formal charge:0
Formula weight:437.272 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043,3-bis(3-chloro-4-hydroxyphenyl)-1H,3H-benzo[de]isochromen-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1c(O)ccc(c1)C4(OC(=O)c2c3c(ccc2)cccc34)c5ccc(O)c(Cl)c5
SMILES_CANONICALCACTVS3.341Oc1ccc(cc1Cl)C2(OC(=O)c3cccc4cccc2c34)c5ccc(O)c(Cl)c5
SMILESCACTVS3.341Oc1ccc(cc1Cl)C2(OC(=O)c3cccc4cccc2c34)c5ccc(O)c(Cl)c5
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc2cccc3c2c(c1)C(=O)OC3(c4ccc(c(c4)Cl)O)c5ccc(c(c5)Cl)O
SMILESOpenEye OEToolkits1.5.0c1cc2cccc3c2c(c1)C(=O)OC3(c4ccc(c(c4)Cl)O)c5ccc(c(c5)Cl)O
InChIInChI1.03InChI=1S/C24H14Cl2O4/c25-18-11-14(7-9-20(18)27)24(15-8-10-21(28)19(26)12-15)17-6-2-4-13-3-1-5-16(22(13)17)23(29)30-24/h1-12,27-28H
InChIKeyInChI1.03HCQHFJBXXMFZHF-UHFFFAOYSA-N

226262

数据于2024-10-16公开中

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