3-[[2,4-Diamino-5-[[4-(4-nitro-2-sulfoanilino)phenyl]azo]phenyl]azo]-5-sulfosalicylic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H20N8O11S2
Molecular Weight	672.603
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 3-[[2,4-Diamino-5-[[4-(4-nitro-2-sulfoanilino)phenyl]azo]phenyl]azo]-5-sulfosalicylic acid

Structure Search

SMILES

NC1=CC(N)=C(C=C1N=NC2=CC(=CC(C(O)=O)=C2O)S(O)(=O)=O)N=NC3=CC=C(NC4=CC=C(C=C4S(O)(=O)=O)N(=O)=O)C=C3

InChI

InChIKey=BGGDFJOSVFIDAM-PNBBGTCESA-N

InChI=1S/C25H20N8O11S2/c26-17-10-18(27)21(31-32-22-9-15(45(39,40)41)8-16(24(22)34)25(35)36)11-20(17)30-29-13-3-1-12(2-4-13)28-19-6-5-14(33(37)38)7-23(19)46(42,43)44/h1-11,28,34H,26-27H2,(H,35,36)(H,39,40,41)(H,42,43,44)/b30-29+,32-31+

HIDE SMILES / InChI

Molecular Formula	C25H20N8O11S2
Molecular Weight	672.603
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 10:40:43 GMT 2025` Edited by `admin` on `Wed Apr 02 10:40:43 GMT 2025`
Record UNII	3FSC8CM4UQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-[[2,4-Diamino-5-[[4-(4-nitro-2-sulfoanilino)phenyl]azo]phenyl]azo]-5-sulfosalicylic acid

Systematic Name

English

BENZOIC ACID, 3-((2,4-DIAMINO-5-((4-((4-NITRO-2-SULFOPHENYL)AMINO)PHENYL)AZO)PHENYL)AZO)-2-HYDROXY-5-SULFO-

Preferred Name

English

Benzoic acid, 3-[2-[2,4-diamino-5-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]phenyl]diazenyl]-2-hydroxy-5-sulfo-

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

70660-45-6