(Q27123676)

Rhodamine B cation (English)

19 October 2016

chemical formula

C₂₈H₃₁N₂O₃⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O

1 reference

Rhodamine B cation (English)

InChI=1S/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32/h9-18H,5-8H2,1-4H3/p+1

19 October 2016

Identifiers

InChI

1 reference

Rhodamine B cation (English)

CVAVMIODJQHEEH-UHFFFAOYSA-O

19 October 2016

InChIKey

2 references

Rhodamine B cation (English)

CVAVMIODJQHEEH-UHFFFAOYSA-O

19 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

64381-98-2

1 reference

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=64381-98-2

1 reference

Rhodamine B ion (English)

19 October 2016

1 reference

Rhodamine B cation (English)

19 October 2016

ChEBI ID

52896

mapping relation type

1 reference

rhodamine B(1+) (English)

19 October 2016

1 reference

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

CHEMBL1185708 (English)

19 October 2016

1 reference

1 reference

DSSTOX compound identifier

DTXCID9032375

0 references

AICS Chemical ID (BEING DELETED)

22279

0 references

Human Metabolome Database ID

HMDB0031786

1 reference

based on heuristic

inferred from InChIKey

0 references

1 reference

4GLJ (English)