Chemical Components in the PDB

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8VH : Summary

Code

8VH

One-letter code

X

Molecule name

1,3-dimethylbenzene

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 1,3-dimethylbenzene

Formula

C8 H10

Formal charge

0

Molecular weight

106.165 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1cccc(C)c1
SMILES OpenEye OEToolkits 2.0.6 Cc1cccc(c1)C
Canonical SMILES CACTVS 3.385 Cc1cccc(C)c1
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1cccc(c1)C

IUPAC InChI

InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3

IUPAC InChI key

IVSZLXZYQVIEFR-UHFFFAOYSA-N
8VH

wwPDB Information

Atom count

18 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-03-13

Last modified at

2017-09-08

Status

Released

Obsoleted

Not Assigned