2,7-Naphthalenedisulfonic acid, 5-[2-[2-amino-4-hydroxy-5-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C40H29N11O18S4
Molecular Weight	1079.981
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure of 2,7-Naphthalenedisulfonic acid, 5-[2-[2-amino-4-hydroxy-5-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]-

Structure Search

SMILES

NC1=C(C=C(N=NC2=CC=C(NC3=CC=C(C=C3S(O)(=O)=O)[N+]([O-])=O)C=C2)C(O)=C1)N=NC4=C5C(=CC(=C4)S(O)(=O)=O)C=C(C(N=NC6=CC=C(NC7=CC=C(C=C7S(O)(=O)=O)[N+]([O-])=O)C=C6)=C5O)S(O)(=O)=O

InChI

InChIKey=ONKAQVKGLACWNT-VQZWGSAPSA-N

InChI=1S/C40H29N11O18S4/c41-28-18-34(52)32(47-44-23-5-1-21(2-6-23)42-29-11-9-25(50(54)55)15-35(29)71(61,62)63)19-31(28)46-48-33-17-27(70(58,59)60)13-20-14-37(73(67,68)69)39(40(53)38(20)33)49-45-24-7-3-22(4-8-24)43-30-12-10-26(51(56)57)16-36(30)72(64,65)66/h1-19,42-43,52-53H,41H2,(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)/b47-44+,48-46+,49-45+

HIDE SMILES / InChI

Molecular Formula	C40H29N11O18S4
Molecular Weight	1079.981
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	3
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:29:36 GMT 2025` Edited by `admin` on `Wed Apr 02 17:29:36 GMT 2025`
Record UNII	T4U4X2BF9T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,7-Naphthalenedisulfonic acid, 5-[[2-amino-4-hydroxy-5-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]azo]-4-hydroxy-3-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]-

Preferred Name

English

2,7-Naphthalenedisulfonic acid, 5-[2-[2-amino-4-hydroxy-5-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]-

Systematic Name

English

5-[2-[2-Amino-4-hydroxy-5-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]-2,7-naphthalenedisulfonic acid

Systematic Name

English

Code System Code Type Description

CAS

94021-34-8

Created by admin on Wed Apr 02 17:29:36 GMT 2025 , Edited by admin on Wed Apr 02 17:29:36 GMT 2025

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EPA CompTox

DTXSID401098571

Created by admin on Wed Apr 02 17:29:36 GMT 2025 , Edited by admin on Wed Apr 02 17:29:36 GMT 2025

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FDA UNII

T4U4X2BF9T

Created by admin on Wed Apr 02 17:29:36 GMT 2025 , Edited by admin on Wed Apr 02 17:29:36 GMT 2025

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PUBCHEM

16132041

Created by admin on Wed Apr 02 17:29:36 GMT 2025 , Edited by admin on Wed Apr 02 17:29:36 GMT 2025

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