4-ISOTHIOCYANATORHODAMINE B

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H30N3O3S.Cl
Molecular Weight	536.085
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 4-ISOTHIOCYANATORHODAMINE B

Structure Search

SMILES

[Cl-].CCN(CC)C1=CC2=C(C=C1)C(C3=CC=C(C=C3C(O)=O)N=C=S)=C4C=CC(C=C4O2)=[N+](CC)CC

InChI

InChIKey=YVSWPCCVTYEEHG-UHFFFAOYSA-N

InChI=1S/C29H29N3O3S.ClH/c1-5-31(6-2)20-10-13-23-26(16-20)35-27-17-21(32(7-3)8-4)11-14-24(27)28(23)22-12-9-19(30-18-36)15-25(22)29(33)34;/h9-17H,5-8H2,1-4H3;1H

HIDE SMILES / InChI

Approval Year

Name

Type

Language

4-ISOTHIOCYANATORHODAMINE B

Common Name

English

XANTHYLIUM, 9-(2-CARBOXY-4-ISOTHIOCYANATOPHENYL)-3,6-BIS(DIETHYLAMINO)-, CHLORIDE (1:1)

Preferred Name

English

Code System Code Type Description

CAS

14696-19-6

Created by admin on Mon Mar 31 22:47:07 GMT 2025 , Edited by admin on Mon Mar 31 22:47:07 GMT 2025

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FDA UNII

2NQ85ER041

Created by admin on Mon Mar 31 22:47:07 GMT 2025 , Edited by admin on Mon Mar 31 22:47:07 GMT 2025

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PUBCHEM

12047801

Created by admin on Mon Mar 31 22:47:07 GMT 2025 , Edited by admin on Mon Mar 31 22:47:07 GMT 2025

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SUBSTANCE RECORD


					2NQ85ER041

4-ISOTHIOCYANATORHODAMINE B