O3D

4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione

Created:	2019-06-06
Last modified:	2019-08-21

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6 entries where O3D is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	5

2D diagram of O3D

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Chemical Component Summary
Name	4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione
Systematic Name (OpenEye OEToolkits)	4-(furan-2-ylmethyl)-1,4-thiazinane 1,1-dioxide
Formula	C₉ H₁₃ N O₃ S
Molecular Weight	215.269
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1(CCS(CC1)(=O)=O)Cc2ccco2
SMILES	CACTVS	3.385	O=[S]1(=O)CCN(CC1)Cc2occc2
SMILES	OpenEye OEToolkits	2.0.6	c1cc(oc1)CN2CCS(=O)(=O)CC2
Canonical SMILES	CACTVS	3.385	O=[S]1(=O)CCN(CC1)Cc2occc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(oc1)CN2CCS(=O)(=O)CC2
InChI	InChI	1.03	InChI=1S/C9H13NO3S/c11-14(12)6-3-10(4-7-14)8-9-2-1-5-13-9/h1-2,5H,3-4,6-8H2
InChIKey	InChI	1.03	AEOGPIJVSQTAII-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	318460

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