Chemical Components in the PDB

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SYN : Summary

Code

SYN

One-letter code

X

Molecule name

ethenylbenzene

Synonyms

styrene

Systematic names

ProgramVersionName
ACDLabs 12.01 ethenylbenzene
OpenEye OEToolkits 1.7.6 ethenylbenzene

Formula

C8 H8

Formal charge

0

Molecular weight

104.149 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C=C\c1ccccc1
SMILES CACTVS 3.370 C=Cc1ccccc1
SMILES OpenEye OEToolkits 1.7.6 C=Cc1ccccc1
Canonical SMILES CACTVS 3.370 C=Cc1ccccc1
Canonical SMILES OpenEye OEToolkits 1.7.6 C=Cc1ccccc1

IUPAC InChI

InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2

IUPAC InChI key

PPBRXRYQALVLMV-UHFFFAOYSA-N
SYN

wwPDB Information

Atom count

16 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-10-15

Last modified at

2013-04-26

Status

Released

Obsoleted

Not Assigned