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Molecule : 3CG

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2/b7-6-;;;;
2	InChIKey	InChI	1.03	ZTQRMGDLUGQTTF-VSJPESBJSA-L
3	SMILES	ACDLabs	12.01	O=C(O)\C=C/c1cc(ccc1)[Sb](=O)(O)O
4	SMILES	CACTVS	3.385	OC(=O)C=Cc1cccc(c1)[Sb](O)(O)=O
5	SMILES	OpenEye OEToolkits	1.9.2	c1cc(cc(c1)[Sb](=O)(O)O)C=CC(=O)O
6	Canonical SMILES	CACTVS	3.385	OC(=O)\C=C/c1cccc(c1)[Sb](O)(O)=O
7	Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(cc(c1)[Sb](=O)(O)O)C=CC(=O)O