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Summary Geometry Related PDB entries

JH3

Summary

Name:	methyl (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate
Synonyms:	JH III juvenile hormone III
Formula:	C16 H26 O3
Formal charge:	0
Formula weight:	266.376 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	methyl (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate
OpenEye OEToolkits	1.5.0	methyl (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethyl-nona-2,6-dienoate

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OC)\C=C(\CC/C=C(/CCC1OC1(C)C)C)C
SMILES_CANONICAL	CACTVS	3.341	COC(=O)\C=C(/C)CC\C=C(/C)CC[C@H]1OC1(C)C
SMILES	CACTVS	3.341	COC(=O)C=C(C)CCC=C(C)CC[CH]1OC1(C)C
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	C/C(=C\CC/C(=C/C(=O)OC)/C)/CC[C@@H]1C(O1)(C)C
SMILES	OpenEye OEToolkits	1.5.0	CC(=CCCC(=CC(=O)OC)C)CCC1C(O1)(C)C
InChI	InChI	1.03	InChI=1S/C16H26O3/c1-12(9-10-14-16(3,4)19-14)7-6-8-13(2)11-15(17)18-5/h7,11,14H,6,8-10H2,1-5H3/b12-7+,13-11+/t14-/m1/s1
InChIKey	InChI	1.03	QVJMXSGZTCGLHZ-HONBPKQLSA-N

218853

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