(Q27132918)

Bathocuproine disulfonate (English)

7 October 2016

chemical formula

C₂₆H₂₀N₂O₆S₂

1 reference

Bathocuproine disulfonate (English)

7 October 2016

canonical SMILES

CC1=NC2=C(C=CC3=C2N=C(C=C3C4=CC=C(C=C4)S(=O)(=O)O)C)C(=C1)C5=CC=C(C=C5)S(=O)(=O)O

1 reference

Bathocuproine disulfonate (English)

7 October 2016

1 reference

Medical Subject Headings

MeSH descriptor ID

C028559

InChI=1S/C26H20N2O6S2/c1-15-13-23(17-3-7-19(8-4-17)35(29,30)31)21-11-12-22-24(14-16(2)28-26(22)25(21)27-15)18-5-9-20(10-6-18)36(32,33)34/h3-14H,1-2H3,(H,29,30,31)(H,32,33,34)

15 March 2018

Identifiers

InChI

1 reference

Bathocuproine disulfonate (English)

7 October 2016

2 references

Bathocuproine disulfonate (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

bathocuproine disulfonic acid (English)

7 October 2016

1 reference

bathocuproine disulfonic acid (English)

7 October 2016

2 references

Bathocuproine disulfonate (English)

7 October 2016

Reaxys registry number

9595708

1 reference

bathocuproine disulfonic acid (English)

7 October 2016

ChEBI ID

63934

mapping relation type

2 references

bathocuproine disulfonic acid (English)

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C26H20N2O6S2/c1-15-13-23(17-3-7-19(8-4-17)35(29,30)31)21-11-12-22-24(14-16(2)28-26(22)25(21)27-15)18-5-9-20(10-6-18)36(32,33)34/h3-14H,1-2H3,(H,29,30,31)(H,32,33,34)

1 reference

1 reference

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

DTXSID50892013

1 reference

MeSH descriptor ID

C028559

1 reference

stated in

Medical Subject Headings

MeSH descriptor ID

C028559

Human Metabolome Database ID

14 March 2018

HMDB0248880

2 references

based on heuristic

inferred from InChIKey