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LZO

Summary
Name:5-(5-(3-hydroxyphenyl)thiophen-2-yl)pentanoic acid
Formula:C15 H16 O3 S
Formal charge:0
Formula weight:276.351 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75-[5-(3-hydroxyphenyl)thiophen-2-yl]pentanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C15H16O3S/c16-12-5-3-4-11(10-12)14-9-8-13(19-14)6-1-2-7-15(17)18/h3-5,8-10,16H,1-2,6-7H2,(H,17,18)
InChIKeyInChI1.06IJYKTKXHUXBNPE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)CCCCc1sc(cc1)c2cccc(O)c2
SMILESCACTVS3.385OC(=O)CCCCc1sc(cc1)c2cccc(O)c2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc(c1)O)c2ccc(s2)CCCCC(=O)O
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)O)c2ccc(s2)CCCCC(=O)O

222415

數據於2024-07-10公開中

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