X1H

[6-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOTHIOPHEN-3-YL](4-METHOXYPHENYL)METHANONE

Created:2009-12-24
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count46
Aromatic Bond Count23
2D diagram of X1H

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Chemical Component Summary

Name[6-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOTHIOPHEN-3-YL](4-METHOXYPHENYL)METHANONE
Systematic Name (OpenEye OEToolkits)[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone
FormulaC22 H16 O4 S
Molecular Weight376.425
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c1c3ccc(O)cc3sc1c2ccc(O)cc2)c4ccc(OC)cc4
SMILESCACTVS3.352COc1ccc(cc1)C(=O)c2c(sc3cc(O)ccc23)c4ccc(O)cc4
SMILESOpenEye OEToolkits1.6.1COc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O
Canonical SMILESCACTVS3.352 COc1ccc(cc1)C(=O)c2c(sc3cc(O)ccc23)c4ccc(O)cc4
Canonical SMILESOpenEye OEToolkits1.6.1 COc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O
InChIInChI1.03 InChI=1S/C22H16O4S/c1-26-17-9-4-13(5-10-17)21(25)20-18-11-8-16(24)12-19(18)27-22(20)14-2-6-15(23)7-3-14/h2-12,23-24H,1H3
InChIKeyInChI1.03 PYIMIJKXPOXOFJ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 9842621