5-[[4-[[[4-[[8-Amino-1-hydroxy-7-[(4-nitrophenyl)azo]-3,6-disulpho-2-naphthyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C36H25N9O13S2
Molecular Weight	855.766
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure of 5-[[4-[[[4-[[8-Amino-1-hydroxy-7-[(4-nitrophenyl)azo]-3,6-disulpho-2-naphthyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylic acid

Structure Search

SMILES

NC1=C(N=NC2=CC=C(C=C2)[N+]([O-])=O)C(=CC3=C1C(O)=C(N=NC4=CC=C(NC(=O)C5=CC=C(C=C5)N=NC6=CC(C(O)=O)=C(O)C=C6)C=C4)C(=C3)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=MMVNZWAJOBFTMS-IUHJAEDGSA-N

InChI=1S/C36H25N9O13S2/c37-31-30-19(15-28(59(53,54)55)32(31)43-40-23-9-12-25(13-10-23)45(51)52)16-29(60(56,57)58)33(34(30)47)44-41-22-7-5-20(6-8-22)38-35(48)18-1-3-21(4-2-18)39-42-24-11-14-27(46)26(17-24)36(49)50/h1-17,46-47H,37H2,(H,38,48)(H,49,50)(H,53,54,55)(H,56,57,58)/b42-39+,43-40+,44-41+

HIDE SMILES / InChI

Molecular Formula	C36H25N9O13S2
Molecular Weight	855.766
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 `Sat Dec 16 12:01:24 GMT 2023` Edited by `admin` on `Sat Dec 16 12:01:24 GMT 2023`
Record UNII	CHX74WX2LH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-[[4-[[[4-[[8-Amino-1-hydroxy-7-[(4-nitrophenyl)azo]-3,6-disulpho-2-naphthyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylic acid

Systematic Name

English

Benzoic acid, 5-[2-[4-[[[4-[2-[8-amino-1-hydroxy-7-[2-(4-nitrophenyl)diazenyl]-3,6-disulfo-2-naphthalenyl]diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2-hydroxy-

Systematic Name

English

5-[2-[4-[[[4-[2-[8-Amino-1-hydroxy-7-[2-(4-nitrophenyl)diazenyl]-3,6-disulfo-2-naphthalenyl]diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2-hydroxybenzoic acid

Systematic Name

English

BENZOIC ACID, 5-((4-(((4-((8-AMINO-1-HYDROXY-7-((4-NITROPHENYL)AZO)-3,6-DISULFO-2-NAPHTHALENYL)AZO)PHENYL)AMINO)CARBONYL)PHENYL)AZO)-2-HYDROXY-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID8069141