3,3'-((6-(BIS(2-HYDROXYETHYL)AMINO)-1,3,5-TRIAZINE-2,4-DIYL)BIS(IMINO-4,1-PHENYLENEAZO))BIS-1,5-NAPHTHALENEDISULFONATE TETRASODIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C39H30N10O14S4.4Na
Molecular Weight	1082.933
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 3,3'-((6-(BIS(2-HYDROXYETHYL)AMINO)-1,3,5-TRIAZINE-2,4-DIYL)BIS(IMINO-4,1-PHENYLENEAZO))BIS-1,5-NAPHTHALENEDISULFONATE TETRASODIUM

Structure Search

SMILES

[Na+].[Na+].[Na+].[Na+].OCCN(CCO)C1=NC(NC2=CC=C(C=C2)\N=N\C3=CC4=C(C=CC=C4S([O-])(=O)=O)C(=C3)S([O-])(=O)=O)=NC(NC5=CC=C(C=C5)\N=N\C6=CC7=C(C=CC=C7S([O-])(=O)=O)C(=C6)S([O-])(=O)=O)=N1

InChI

InChIKey=DSZRDVVIJSSFRS-JMYUTWMGSA-J

InChI=1S/C39H34N10O14S4.4Na/c50-17-15-49(16-18-51)39-43-37(40-23-7-11-25(12-8-23)45-47-27-19-31-29(35(21-27)66(58,59)60)3-1-5-33(31)64(52,53)54)42-38(44-39)41-24-9-13-26(14-10-24)46-48-28-20-32-30(36(22-28)67(61,62)63)4-2-6-34(32)65(55,56)57;;;;/h1-14,19-22,50-51H,15-18H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H2,40,41,42,43,44);;;;/q;4*+1/p-4/b47-45+,48-46+;;;;

HIDE SMILES / InChI

Molecular Formula	C39H30N10O14S4
Molecular Weight	990.974
Charge	-4
Count

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

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:01:08 GMT 2023` Edited by `admin` on `Sat Dec 16 08:01:08 GMT 2023`
Record UNII	SEI685Y0RW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,3'-((6-(BIS(2-HYDROXYETHYL)AMINO)-1,3,5-TRIAZINE-2,4-DIYL)BIS(IMINO-4,1-PHENYLENEAZO))BIS-1,5-NAPHTHALENEDISULFONATE TETRASODIUM

Common Name

English

1,5-NAPHTHALENEDISULFONIC ACID, 3,3'-((6-(BIS(2-HYDROXYETHYL)AMINO)-1,3,5-TRIAZINE-2,4-DIYL)BIS(IMINO-4,1-PHENYLENEAZO))BIS-, TETRASODIUM SALT

Common Name

English

1,5-NAPHTHALENEDISULFONIC ACID, 3,3'-((6-(BIS(2-HYDROXYETHYL)AMINO)-1,3,5-TRIAZINE-2,4-DIYL)BIS(IMINO-4,1-PHENYLENE-2,1-DIAZENEDIYL))BIS-, SODIUM SALT (1:4)

Systematic Name

English

Code System Code Type Description

FDA UNII

SEI685Y0RW