H2I

~{N}-[(4-hydroxyphenyl)methyl]-3,4,6-tris(oxidanyl)-5-oxidanylidene-benzo[7]annulene-8-carboxamide

Created: 2023-07-21
Last modified:  2024-12-04

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count43
Aromatic Bond Count12
2D diagram of H2I

Chemical Component Summary

Name~{N}-[(4-hydroxyphenyl)methyl]-3,4,6-tris(oxidanyl)-5-oxidanylidene-benzo[7]annulene-8-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-[(4-hydroxyphenyl)methyl]-3,4,6-tris(oxidanyl)-5-oxidanylidene-benzo[7]annulene-8-carboxamide
FormulaC19 H15 N O6
Molecular Weight353.326
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Oc1ccc(CNC(=O)C2=Cc3ccc(O)c(O)c3C(=O)C(=C2)O)cc1
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1CNC(=O)C2=Cc3ccc(c(c3C(=O)C(=C2)O)O)O)O
Canonical SMILESCACTVS3.385 Oc1ccc(CNC(=O)C2=Cc3ccc(O)c(O)c3C(=O)C(=C2)O)cc1
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(ccc1CNC(=O)C2=Cc3ccc(c(c3C(=O)C(=C2)O)O)O)O
InChIInChI1.06 InChI=1S/C19H15NO6/c21-13-4-1-10(2-5-13)9-20-19(26)12-7-11-3-6-14(22)17(24)16(11)18(25)15(23)8-12/h1-8,21-22,24H,9H2,(H,20,26)(H,23,25)
InChIKeyInChI1.06 ZCYBYTMZRFUUSR-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 172432009