Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

I7L : Summary

Code

I7L

One-letter code

X

Molecule name

2-naphthalen-2-ylethanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-naphthalen-2-ylethanoic acid

Formula

C12 H10 O2

Formal charge

0

Molecular weight

186.207 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)Cc1ccc2ccccc2c1
SMILES OpenEye OEToolkits 2.0.7 c1ccc2cc(ccc2c1)CC(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)Cc1ccc2ccccc2c1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2cc(ccc2c1)CC(=O)O

IUPAC InChI

InChI=1S/C12H10O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,13,14)

IUPAC InChI key

VIBOGIYPPWLDTI-UHFFFAOYSA-N
I7L

wwPDB Information

Atom count

24 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-02-17

Last modified at

2022-08-22

Status

Released

Obsoleted

Not Assigned