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Summary

Name:(2R)-3-(4-hydroxyphenyl)-2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanoic acid
Synonyms:4-coumaroyl-(R)-3-(4-hydroxyphenyl)lactate
Formula:C18 H16 O6
Formal charge:0
Molecular weight:328.316 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-3-(4-hydroxyphenyl)-2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanoic acid
OpenEye OEToolkits2.0.6(2~{R})-3-(4-hydroxyphenyl)-2-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2cc([C@H]=[C@H]C(=O)OC(C(O)=O)Cc1ccc(cc1)O)ccc2O
InChIInChI1.03InChI=1S/C18H16O6/c19-14-6-1-12(2-7-14)5-10-17(21)24-16(18(22)23)11-13-3-8-15(20)9-4-13/h1-10,16,19-20H,11H2,(H,22,23)/b10-5+/t16-/m1/s1
InChIKeyInChI1.03LVPGCTXCBGXZHO-ZWIJEDICSA-N
SMILES_CANONICALCACTVS3.385OC(=O)[C@@H](Cc1ccc(O)cc1)OC(=O)/C=C/c2ccc(O)cc2
SMILESCACTVS3.385OC(=O)[CH](Cc1ccc(O)cc1)OC(=O)C=Cc2ccc(O)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(ccc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(cc2)O)O
SMILESOpenEye OEToolkits2.0.6c1cc(ccc1CC(C(=O)O)OC(=O)C=Cc2ccc(cc2)O)O