FLUORESCENT BRIGHTENER 49, (Z)-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C32H26N12O6S2.2Na
Molecular Weight	784.735
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of FLUORESCENT BRIGHTENER 49, (Z)-

Structure Search

SMILES

[Na+].[Na+].NC1=NC(NC2=CC=CC=C2)=NC(NC3=CC(=C(\C=C/C4=C(C=C(NC5=NC(N)=NC(NC6=CC=CC=C6)=N5)C=C4)S([O-])(=O)=O)C=C3)S([O-])(=O)=O)=N1

InChI

InChIKey=XTYKHCPNKDNILW-IPEZHVIRSA-L

InChI=1S/C32H28N12O6S2.2Na/c33-27-39-29(35-21-7-3-1-4-8-21)43-31(41-27)37-23-15-13-19(25(17-23)51(45,46)47)11-12-20-14-16-24(18-26(20)52(48,49)50)38-32-42-28(34)40-30(44-32)36-22-9-5-2-6-10-22;;/h1-18H,(H,45,46,47)(H,48,49,50)(H4,33,35,37,39,41,43)(H4,34,36,38,40,42,44);;/q;2*+1/p-2/b12-11-;;

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C32H26N12O6S2
Molecular Weight	738.756
Charge	-2
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 11:10:28 UTC 2023` Edited by `admin` on `Sat Dec 16 11:10:28 UTC 2023`
Record UNII	510DL4UP4V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FLUORESCENT BRIGHTENER 49, (Z)-

Common Name

English

BENZENESULFONIC ACID, 2,2'-(1,2-ETHENEDIYL)BIS(5-((4-AMINO-6-(PHENYLAMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-, DISODIUM SALT, (Z)-

Systematic Name

English

C.I. FLUORESCENT BRIGHTENER 49, (Z)-

Common Name

English

C.I. FLUORESCENT BRIGHTENER 49, CIS-

Systematic Name

English

Code System Code Type Description

FDA UNII

510DL4UP4V

Created by admin on Sat Dec 16 11:10:28 UTC 2023 , Edited by admin on Sat Dec 16 11:10:28 UTC 2023

PRIMARY

CAS

92629-70-4

Created by admin on Sat Dec 16 11:10:28 UTC 2023 , Edited by admin on Sat Dec 16 11:10:28 UTC 2023

PRIMARY

PUBCHEM

112500464

Created by admin on Sat Dec 16 11:10:28 UTC 2023 , Edited by admin on Sat Dec 16 11:10:28 UTC 2023

PRIMARY

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FLUORESCENT BRIGHTENER 49 FREE ACID, (Z)-

PARENT -> SALT/SOLVATE