5G2

3,4-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~6~-thiophene-1,1-dione

Created:	2015-09-22
Last modified:	2016-05-04

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1 entries where 5G2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	12

2D diagram of 5G2

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Chemical Component Summary
Name	3,4-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~6~-thiophene-1,1-dione
Systematic Name (OpenEye OEToolkits)	3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)-1,1-bis(oxidanylidene)thiophen-3-yl]phenol
Formula	C₁₆ H₁₀ Cl₂ O₄ S
Molecular Weight	369.219
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C=1S(C=C(C=1c2c(Cl)cc(O)cc2)c3c(Cl)cc(O)cc3)(=O)=O
SMILES	CACTVS	3.385	Oc1ccc(c(Cl)c1)C2=C[S](=O)(=O)C=C2c3ccc(O)cc3Cl
SMILES	OpenEye OEToolkits	2.0.4	c1cc(c(cc1O)Cl)C2=CS(=O)(=O)C=C2c3ccc(cc3Cl)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(c(Cl)c1)C2=C[S](=O)(=O)C=C2c3ccc(O)cc3Cl
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1cc(c(cc1O)Cl)C2=CS(=O)(=O)C=C2c3ccc(cc3Cl)O
InChI	InChI	1.03	InChI=1S/C16H10Cl2O4S/c17-15-5-9(19)1-3-11(15)13-7-23(21,22)8-14(13)12-4-2-10(20)6-16(12)18/h1-8,19-20H
InChIKey	InChI	1.03	YAJJGZGGQSGJNJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	118988380

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