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Molecule : IPE

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)
2	InChIKey	InChI	1.03	NUHSROFQTUXZQQ-UHFFFAOYSA-N
3	SMILES	ACDLabs	10.04	O=P(OP(=O)(O)O)(OCC\C(=C)C)O
4	SMILES	CACTVS	3.341	CC(=C)CCO[P](O)(=O)O[P](O)(O)=O
5	SMILES	OpenEye OEToolkits	1.5.0	CC(=C)CCOP(=O)(O)OP(=O)(O)O
6	Canonical SMILES	CACTVS	3.341	CC(=C)CCO[P@](O)(=O)O[P](O)(O)=O
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O