S65

heptachlor endo-epoxide

Created:	2020-11-10
Last modified:	2021-01-13

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1 entries where S65 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	7
Bond Count	26
Aromatic Bond Count	0

2D diagram of S65

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Chemical Component Summary
Name	heptachlor endo-epoxide
Formula	C₁₀ H₅ Cl₇ O
Molecular Weight	389.317
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cl[CH]1[CH]2O[CH]2[CH]3[CH]1[C]4(Cl)C(=C(Cl)[C]3(Cl)C4(Cl)Cl)Cl
SMILES	OpenEye OEToolkits	2.0.7	C12C(C(C3C1O3)Cl)C4(C(=C(C2(C4(Cl)Cl)Cl)Cl)Cl)Cl
Canonical SMILES	CACTVS	3.385	Cl[C@H]1[C@@H]2O[C@@H]2[C@H]3[C@@H]1[C@@]4(Cl)C(=C(Cl)[C@]3(Cl)C4(Cl)Cl)Cl
Canonical SMILES	OpenEye OEToolkits	2.0.7	[C@@H]12[C@@H]([C@H]([C@H]3[C@@H]1O3)Cl)[C@]4(C(=C([C@@]2(C4(Cl)Cl)Cl)Cl)Cl)Cl
InChI	InChI	1.03	InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H/t1-,2+,3+,4+,5-,8+,9-/m0/s1
InChIKey	InChI	1.03	ZXFXBSWRVIQKOD-WOBUKFROSA-N

Related Resource References

Resource Name	Reference
PubChem	71317194

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