Chemical Components in the PDB

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BNZ : Summary

Code

BNZ

One-letter code

X

Molecule name

BENZENE

Systematic names

ProgramVersionName
ACDLabs 11.02 benzene
OpenEye OEToolkits 1.6.1 benzene

Formula

C6 H6

Formal charge

0

Molecular weight

78.112 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 c1ccccc1
SMILES CACTVS 3.352 c1ccccc1
SMILES OpenEye OEToolkits 1.7.0 c1ccccc1
Canonical SMILES CACTVS 3.352 c1ccccc1
Canonical SMILES OpenEye OEToolkits 1.7.0 c1ccccc1

IUPAC InChI

InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H

IUPAC InChI key

UHOVQNZJYSORNB-UHFFFAOYSA-N
BNZ

wwPDB Information

Atom count

12 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned