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 : MF9

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.06	InChI=1S/C10H11ClO2S/c1-7(6-10(12)13)14-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m0/s1
2	InChIKey	InChI	1.06	DSCJEDOCSCNYAI-ZETCQYMHSA-N
3	SMILES	ACDLabs	12.01	Clc1ccc(SC(C)CC(=O)O)cc1
4	SMILES	CACTVS	3.385	C[CH](CC(O)=O)Sc1ccc(Cl)cc1
5	SMILES	OpenEye OEToolkits	2.0.7	CC(CC(=O)O)Sc1ccc(cc1)Cl
6	Canonical SMILES	CACTVS	3.385	C[C@@H](CC(O)=O)Sc1ccc(Cl)cc1
7	Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@H](CC(=O)O)Sc1ccc(cc1)Cl