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Y1N

Summary
Name:2-methyl-2-[4-[2-[4-[(E)-phenyldiazenyl]phenoxy]ethyl]phenoxy]propanoic acid
Formula:C24 H24 N2 O4
Formal charge:0
Formula weight:404.458 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-methyl-2-[4-(2-{4-[(E)-phenyldiazenyl]phenoxy}ethyl)phenoxy]propanoic acid
OpenEye OEToolkits1.9.22-methyl-2-[4-[2-[4-[(E)-phenyldiazenyl]phenoxy]ethyl]phenoxy]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(Oc1ccc(cc1)CCOc3ccc(/N=N/c2ccccc2)cc3)(C)C
InChIInChI1.03InChI=1S/C24H24N2O4/c1-24(2,23(27)28)30-22-12-8-18(9-13-22)16-17-29-21-14-10-20(11-15-21)26-25-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,27,28)/b26-25+
InChIKeyInChI1.03HCISJKNVUOHNQX-OCEACIFDSA-N
SMILES_CANONICALCACTVS3.385CC(C)(Oc1ccc(CCOc2ccc(cc2)N=Nc3ccccc3)cc1)C(O)=O
SMILESCACTVS3.385CC(C)(Oc1ccc(CCOc2ccc(cc2)N=Nc3ccccc3)cc1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.9.2CC(C)(C(=O)O)Oc1ccc(cc1)CCOc2ccc(cc2)/N=N/c3ccccc3
SMILESOpenEye OEToolkits1.9.2CC(C)(C(=O)O)Oc1ccc(cc1)CCOc2ccc(cc2)N=Nc3ccccc3

224931

건을2024-09-11부터공개중

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