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Summary

Name:3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol
Formula:C31 H40 O4
Formal charge:0
Molecular weight:476.647 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol
OpenEye OEToolkits1.7.63-[4-[5-[[3,4-bis(hydroxymethyl)phenyl]methoxy]-2-ethyl-phenyl]-3-propyl-phenyl]pentan-3-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O(c1cc(c(cc1)CC)c2ccc(cc2CCC)C(O)(CC)CC)Cc3ccc(c(c3)CO)CO
InChIInChI1.03InChI=1S/C31H40O4/c1-5-9-24-17-27(31(34,7-3)8-4)13-15-29(24)30-18-28(14-12-23(30)6-2)35-21-22-10-11-25(19-32)26(16-22)20-33/h10-18,32-34H,5-9,19-21H2,1-4H3
InChIKeyInChI1.03SMKNKOCYSYNJHN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CCCc1cc(ccc1c2cc(OCc3ccc(CO)c(CO)c3)ccc2CC)C(O)(CC)CC
SMILESCACTVS3.370CCCc1cc(ccc1c2cc(OCc3ccc(CO)c(CO)c3)ccc2CC)C(O)(CC)CC
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCc1cc(ccc1c2cc(ccc2CC)OCc3ccc(c(c3)CO)CO)C(CC)(CC)O
SMILESOpenEye OEToolkits1.7.6CCCc1cc(ccc1c2cc(ccc2CC)OCc3ccc(c(c3)CO)CO)C(CC)(CC)O