(Q27159059)

2,4,6-trinitrophenolate (English)

9 October 2016

0 references

C₆H₂N₃O₇⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

1 reference

2,4,6-trinitrophenolate (English)

InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H/p-1

9 October 2016

different from

picrate

0 references

Identifiers

InChI

1 reference

2,4,6-trinitrophenolate (English)

9 October 2016

2 references

2,4,6-trinitrophenolate (English)

9 October 2016

stated in

ChEBI release 2020-09-01

0 references

1 reference

picrate (English)

9 October 2016

2 references

2,4,6-trinitrophenolate (English)

9 October 2016

Reaxys registry number

3595189

1 reference

picrate anion (English)

9 October 2016

ChEBI ID

86297

mapping relation type

2 references

picrate anion (English)

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H/p-1

SureChEMBL ID

SCHEMBL8744

2 references

based on heuristic

inferred from InChIKey

1 reference

NMRShiftDB structure ID

20209112

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTox substance ID

DTXSID00403239

2 references

stated in