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Molecule : 4C8

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C12H5Br5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H
2	InChIKey	InChI	1.03	NSKIRYMHNFTRLR-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	1,3,5-tribromo-2-(2,4-dibromophenoxy)benzene
4	SMILES	CACTVS	3.385	Brc1ccc(Oc2c(Br)cc(Br)cc2Br)c(Br)c1
5	SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(cc1Br)Br)Oc2c(cc(cc2Br)Br)Br
6	Canonical SMILES	CACTVS	3.385	Brc1ccc(Oc2c(Br)cc(Br)cc2Br)c(Br)c1
7	Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(cc1Br)Br)Oc2c(cc(cc2Br)Br)Br