Chemical Components in the PDB

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R4Z : Summary

Code

R4Z

One-letter code

X

Molecule name

6-ethyl-1-oxidanylidene-indene-4-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 6-ethyl-1-oxidanylidene-indene-4-carboxylic acid

Formula

C12 H10 O3

Formal charge

0

Molecular weight

202.206 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCc1cc(C(O)=O)c2C=CC(=O)c2c1
SMILES OpenEye OEToolkits 2.0.7 CCc1cc2c(c(c1)C(=O)O)C=CC2=O
Canonical SMILES CACTVS 3.385 CCc1cc(C(O)=O)c2C=CC(=O)c2c1
Canonical SMILES OpenEye OEToolkits 2.0.7 CCc1cc2c(c(c1)C(=O)O)C=CC2=O

IUPAC InChI

InChI=1S/C12H10O3/c1-2-7-5-9-8(3-4-11(9)13)10(6-7)12(14)15/h3-6H,2H2,1H3,(H,14,15)

IUPAC InChI key

XWFSVEPQDLTABF-UHFFFAOYSA-N
R4Z

wwPDB Information

Atom count

25 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-09-02

Last modified at

2021-04-30

Status

Released

Obsoleted

Not Assigned