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BZM

Summary
Name:BENZOIC ACID PHENYLMETHYLESTER
Formula:C14 H12 O2
Formal charge:0
Formula weight:212.244 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04benzyl benzoate
OpenEye OEToolkits1.5.0phenylmethyl benzoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OCc1ccccc1)c2ccccc2
SMILES_CANONICALCACTVS3.341O=C(OCc1ccccc1)c2ccccc2
SMILESCACTVS3.341O=C(OCc1ccccc1)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)COC(=O)c2ccccc2
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)COC(=O)c2ccccc2
InChIInChI1.03InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyInChI1.03SESFRYSPDFLNCH-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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