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Details

Stereochemistry ACHIRAL
Molecular Formula C25H21N3O3S
Molecular Weight 443.518
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TETRAMETHYLRHODAMINE-6-ISOTHIOCYANATE

SMILES

CN(C)C1=CC2=[O+]C3=CC(=CC=C3C(=C2C=C1)C4=C(C=CC(=C4)N=C=S)C([O-])=O)N(C)C

InChI

InChIKey=OBYNJKLOYWCXEP-UHFFFAOYSA-N
InChI=1S/C25H21N3O3S/c1-27(2)16-6-9-19-22(12-16)31-23-13-17(28(3)4)7-10-20(23)24(19)21-11-15(26-14-32)5-8-18(21)25(29)30/h5-13H,1-4H3

HIDE SMILES / InChI

Molecular Formula C25H21N3O3S
Molecular Weight 443.518
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:00:29 GMT 2023
Edited
by admin
on Sat Dec 16 19:00:29 GMT 2023
Record UNII
B4JXE979JH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TETRAMETHYLRHODAMINE-6-ISOTHIOCYANATE
Common Name English
XANTHYLIUM, 9-(2-CARBOXY-5-ISOTHIOCYANATOPHENYL)-3,6-BIS(DIMETHYLAMINO)-, INNER SALT
Systematic Name English
2-(3-(DIMETHYLAMINO)-6-DIMETHYLAZANIUMYLIDENEXANTHEN-9-YL)-4-ISOTHIOCYANATOBENZOATE
Systematic Name English
TETRAMETHYLRHODAMINE B ISOTHIOCYANATE
Common Name English
Code System Code Type Description
FDA UNII
B4JXE979JH
Created by admin on Sat Dec 16 19:00:29 GMT 2023 , Edited by admin on Sat Dec 16 19:00:29 GMT 2023
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EPA CompTox
DTXSID60399568
Created by admin on Sat Dec 16 19:00:29 GMT 2023 , Edited by admin on Sat Dec 16 19:00:29 GMT 2023
PRIMARY
CAS
80724-20-5
Created by admin on Sat Dec 16 19:00:29 GMT 2023 , Edited by admin on Sat Dec 16 19:00:29 GMT 2023
PRIMARY
PUBCHEM
4123009
Created by admin on Sat Dec 16 19:00:29 GMT 2023 , Edited by admin on Sat Dec 16 19:00:29 GMT 2023
PRIMARY