Chemical Components in the PDB

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BZM : Summary

Code

BZM

One-letter code

X

Molecule name

BENZOIC ACID PHENYLMETHYLESTER

Systematic names

ProgramVersionName
ACDLabs 10.04 benzyl benzoate
OpenEye OEToolkits 1.5.0 phenylmethyl benzoate

Formula

C14 H12 O2

Formal charge

0

Molecular weight

212.244 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(OCc1ccccc1)c2ccccc2
SMILES CACTVS 3.341 O=C(OCc1ccccc1)c2ccccc2
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)COC(=O)c2ccccc2
Canonical SMILES CACTVS 3.341 O=C(OCc1ccccc1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)COC(=O)c2ccccc2

IUPAC InChI

InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2

IUPAC InChI key

SESFRYSPDFLNCH-UHFFFAOYSA-N
BZM

wwPDB Information

Atom count

28 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-03-06

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned