Chemical Components in the PDB

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83R : Summary

Code

83R

One-letter code

X

Molecule name

dibenzothiophene

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 dibenzothiophene

Formula

C12 H8 S

Formal charge

0

Molecular weight

184.257 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 s1c2ccccc2c3ccccc13
SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)c3ccccc3s2
Canonical SMILES CACTVS 3.385 s1c2ccccc2c3ccccc13
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)c3ccccc3s2

IUPAC InChI

InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H

IUPAC InChI key

IYYZUPMFVPLQIF-UHFFFAOYSA-N
83R

wwPDB Information

Atom count

21 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-04-05

Last modified at

2017-08-04

Status

Released

Obsoleted

Not Assigned