4,4'-BIS((4-ANILINO-6-(METHYLAMINO)-S-TRIAZIN-2-YL)AMINO)-2,2'-STILBENEDISULFONIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C34H32N12O6S2
Molecular Weight	768.825
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 4,4'-BIS((4-ANILINO-6-(METHYLAMINO)-S-TRIAZIN-2-YL)AMINO)-2,2'-STILBENEDISULFONIC ACID

Structure Search

SMILES

CNC1=NC(NC2=CC=C(\C=C\C3=CC=C(NC4=NC(NC5=CC=CC=C5)=NC(NC)=N4)C=C3S(O)(=O)=O)C(=C2)S(O)(=O)=O)=NC(NC6=CC=CC=C6)=N1

InChI

InChIKey=VSNAWXHIKBJFHM-BUHFOSPRSA-N

InChI=1S/C34H32N12O6S2/c1-35-29-41-31(37-23-9-5-3-6-10-23)45-33(43-29)39-25-17-15-21(27(19-25)53(47,48)49)13-14-22-16-18-26(20-28(22)54(50,51)52)40-34-44-30(36-2)42-32(46-34)38-24-11-7-4-8-12-24/h3-20H,1-2H3,(H,47,48,49)(H,50,51,52)(H3,35,37,39,41,43,45)(H3,36,38,40,42,44,46)/b14-13+

HIDE SMILES / InChI

Molecular Formula	C34H32N12O6S2
Molecular Weight	768.825
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 `Mon Mar 31 23:24:22 GMT 2025` Edited by `admin` on `Mon Mar 31 23:24:22 GMT 2025`
Record UNII	7ED0351O3Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,2'-STILBENEDISULFONIC ACID, 4,4'-BIS((4-ANILINO-6-(METHYLAMINO)-S-TRIAZIN-2-YL)AMINO)-

Preferred Name

English

4,4'-BIS((4-ANILINO-6-(METHYLAMINO)-S-TRIAZIN-2-YL)AMINO)-2,2'-STILBENEDISULFONIC ACID

Common Name

English

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

Systematic Name

English

4,4'-BIS((4-ANILINO-6-METHYLAMINO-S-TRIAZIN-2-YL)AMINO)-2,2'-STILBENEDISULFONIC ACID

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID9067932