Protein Data Bank
in Europe

Bringing Structure to Biology

pdbe.org/chem

Download Links

Related compounds

Could not find any related compound in the PDB.

3D-Views

PDB Links

Molecule : 9TA

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
2	InChIKey	InChI	1.03	RZVHIXYEVGDQDX-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	O=C2c1c(cccc1)C(=O)c3c2cccc3
4	SMILES	CACTVS	3.370	O=C1c2ccccc2C(=O)c3ccccc13
5	SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)C(=O)c3ccccc3C2=O
6	Canonical SMILES	CACTVS	3.370	O=C1c2ccccc2C(=O)c3ccccc13
7	Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)C(=O)c3ccccc3C2=O