7-((4-((4-((5-((4-AMINO-9,10-DIHYDRO-9,10-DIOXO-3-SULFO-1-ANTHRYL)AMINO)-2-SULFOPHENYL)AMINO)-6-CHLORO-1,3,5-TRIAZIN-2-YL)AMINO)PHENYL)AZO)NAPHTHALENE-1,3,5-TRISULFONIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C39H26ClN9O17S5
Molecular Weight	1088.452
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 7-((4-((4-((5-((4-AMINO-9,10-DIHYDRO-9,10-DIOXO-3-SULFO-1-ANTHRYL)AMINO)-2-SULFOPHENYL)AMINO)-6-CHLORO-1,3,5-TRIAZIN-2-YL)AMINO)PHENYL)AZO)NAPHTHALENE-1,3,5-TRISULFONIC ACID

Structure Search

SMILES

NC1=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C(NC4=CC=C(C(NC5=NC(Cl)=NC(NC6=CC=C(C=C6)\N=N\C7=CC8=C(C=C(C=C8C(=C7)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)=N5)=C4)S(O)(=O)=O)C=C1S(O)(=O)=O

InChI

InChIKey=PXJCQWAOSXBGAV-DSIMXMMZSA-N

InChI=1S/C39H26ClN9O17S5/c40-37-45-38(43-17-5-7-18(8-6-17)48-49-20-11-24-25(29(13-20)69(58,59)60)14-21(67(52,53)54)15-30(24)70(61,62)63)47-39(46-37)44-26-12-19(9-10-28(26)68(55,56)57)42-27-16-31(71(64,65)66)34(41)33-32(27)35(50)22-3-1-2-4-23(22)36(33)51/h1-16,42H,41H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,43,44,45,46,47)/b49-48+

HIDE SMILES / InChI

Molecular Formula	C39H26ClN9O17S5
Molecular Weight	1088.452
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 `Tue Apr 01 18:21:14 GMT 2025` Edited by `admin` on `Tue Apr 01 18:21:14 GMT 2025`
Record UNII	2S2U8C7TPZ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

7-((4-((4-((5-((4-AMINO-9,10-DIHYDRO-9,10-DIOXO-3-SULFO-1-ANTHRYL)AMINO)-2-SULFOPHENYL)AMINO)-6-CHLORO-1,3,5-TRIAZIN-2-YL)AMINO)PHENYL)AZO)NAPHTHALENE-1,3,5-TRISULFONIC ACID

Common Name

English

1,3,5-NAPHTHALENETRISULFONIC ACID, 7-(2-(4-((4-((5-((4-AMINO-9,10-DIHYDRO-9,10-DIOXO-3-SULFO-1-ANTHRACENYL)AMINO)-2-SULFOPHENYL)AMINO)-6-CHLORO-1,3,5-TRIAZIN-2-YL)AMINO)PHENYL)DIAZENYL)-

Preferred Name

English

Code System Code Type Description

ECHA (EC/EINECS)

303-179-6