Chemical Components in the PDB

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7WO : Summary

Code

7WO

One-letter code

X

Molecule name

2-hydroxynaphthalene-1-carbaldehyde

Systematic names

ProgramVersionName
ACDLabs 12.01 2-hydroxynaphthalene-1-carbaldehyde
OpenEye OEToolkits 2.0.6 2-oxidanylnaphthalene-1-carbaldehyde

Formula

C11 H8 O2

Formal charge

0

Molecular weight

172.18 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c2ccc1c(C=O)c(ccc1c2)O
SMILES CACTVS 3.385 Oc1ccc2ccccc2c1C=O
SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)ccc(c2C=O)O
Canonical SMILES CACTVS 3.385 Oc1ccc2ccccc2c1C=O
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)ccc(c2C=O)O

IUPAC InChI

InChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H

IUPAC InChI key

NTCCNERMXRIPTR-UHFFFAOYSA-N
7WO

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

2016-12-09

Last modified at

2017-02-10

Status

Released

Obsoleted

Not Assigned