PDB Chemical Component RSO

Ideal Model

Chemical Description

Name R-STYRENE OXIDE
Formula C8 H8 O
Formal charge 0
Molecular weight 120.149 g/mol
Component type NON-POLYMER

Chemical features

Atom count 17
Chiral atom count 1
Chiral atoms C12
Bond count 18
Aromatic bond count 6

Chemical Identifiers

Systematic name (ACDLabs) (2R)-2-phenyloxirane
Systematic name (OpenEye OEToolkits) (2R)-2-phenyloxirane

Chemical Descriptors

Stereo SMILES (CACTVS) C1O[C@@H]1c2ccccc2
SMILES (CACTVS) C1O[CH]1c2ccccc2
Stereo SMILES (OpenEye) c1ccc(cc1)[C@@H]2CO2
InChI descriptor InChI=1/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m0/s1
InChIKey descriptor AWMVMTVKBNGEAK-QMMMGPOBBD

Status Information

Last modified 2008-10-14
Created 2003-08-12
Release status REL
Model PDB code 1PWZ
Processing site RCSB