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Molecule : BCH

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C9H20NOS/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1
2	InChIKey	InChI	1.03	AWBGQVBMGBZGLS-UHFFFAOYSA-N
3	SMILES	ACDLabs	10.04	O=C(SCC[N+](C)(C)C)CCC
4	SMILES	CACTVS	3.341	CCCC(=O)SCC[N+](C)(C)C
5	SMILES	OpenEye OEToolkits	1.5.0	CCCC(=O)SCC[N+](C)(C)C
6	Canonical SMILES	CACTVS	3.341	CCCC(=O)SCC[N+](C)(C)C
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCC(=O)SCC[N+](C)(C)C