7EN

(1S)-2,3-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one

Created:2016-10-15
Last modified:  2017-01-18

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count1
Bond Count34
Aromatic Bond Count12
2D diagram of 7EN

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Chemical Component Summary

Name(1S)-2,3-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one
Systematic Name (OpenEye OEToolkits)3-chloranyl-4-[2-(2-chloranyl-4-oxidanyl-phenyl)-1-oxidanylidene-thiophen-3-yl]phenol
FormulaC16 H10 Cl2 O3 S
Molecular Weight353.22
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1ccc(c(c1)Cl)C=2S(C=CC=2c3c(Cl)cc(cc3)O)=O
SMILESCACTVS3.385Oc1ccc(c(Cl)c1)C2=C(c3ccc(O)cc3Cl)[S](=O)C=C2
SMILESOpenEye OEToolkits2.0.6c1cc(c(cc1O)Cl)C2=C(S(=O)C=C2)c3ccc(cc3Cl)O
Canonical SMILESCACTVS3.385 Oc1ccc(c(Cl)c1)C2=C(c3ccc(O)cc3Cl)[S@@](=O)C=C2
Canonical SMILESOpenEye OEToolkits2.0.6 c1cc(c(cc1O)Cl)C2=C(S(=O)C=C2)c3ccc(cc3Cl)O
InChIInChI1.03 InChI=1S/C16H10Cl2O3S/c17-14-7-9(19)1-3-11(14)12-5-6-22(21)16(12)13-4-2-10(20)8-15(13)18/h1-8,19-20H
InChIKeyInChI1.03 UXPFSXONZPFVSC-UHFFFAOYSA-N