4-HYDROXY-7-((((5-HYDROXY-7-SULFO-2-NAPHTHALENYL)AMINO)CARBONYL)AMINO)-3-(2-(6-SULFO-2-NAPHTHALENYL)DIAZENYL)-2-NAPHTHALENESULFONIC ACID TRISODIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H19N4O12S3.3Na
Molecular Weight	804.666
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0
Stereo Comments	Assumed E-isomer

SHOW SMILES / InChI

Structure of 4-HYDROXY-7-((((5-HYDROXY-7-SULFO-2-NAPHTHALENYL)AMINO)CARBONYL)AMINO)-3-(2-(6-SULFO-2-NAPHTHALENYL)DIAZENYL)-2-NAPHTHALENESULFONIC ACID TRISODIUM

Structure Search

SMILES

[Na+].[Na+].[Na+].OC1=CC(=CC2=C1C=CC(NC(=O)NC3=CC=C4C(=C3)C=C(C(\N=N\C5=CC=C6C=C(C=CC6=C5)S([O-])(=O)=O)=C4O)S([O-])(=O)=O)=C2)S([O-])(=O)=O

InChI

InChIKey=BHVCANBLUPOJEY-FEISSGSOSA-K

InChI=1S/C31H22N4O12S3.3Na/c36-27-15-24(49(42,43)44)13-18-10-20(4-7-25(18)27)32-31(38)33-21-5-8-26-19(11-21)14-28(50(45,46)47)29(30(26)37)35-34-22-3-1-17-12-23(48(39,40)41)6-2-16(17)9-22;;;/h1-15,36-37H,(H2,32,33,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3/b35-34+;;;

HIDE SMILES / InChI

Molecular Formula	C31H19N4O12S3
Molecular Weight	735.697
Charge	-3
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	Na
Molecular Weight	22.98976928
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 `Tue Apr 01 19:34:12 GMT 2025` Edited by `admin` on `Tue Apr 01 19:34:12 GMT 2025`
Record UNII	P88MHX94YG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-HYDROXY-7-((((5-HYDROXY-7-SULFO-2-NAPHTHALENYL)AMINO)CARBONYL)AMINO)-3-(2-(6-SULFO-2-NAPHTHALENYL)DIAZENYL)-2-NAPHTHALENESULFONIC ACID TRISODIUM

Systematic Name

English

2-NAPHTHALENESULFONIC ACID, 3-((6-SULFO-2-NAPHTHYL)AZO)-7,7'-UREYLENEBIS(4-HYDROXY-, TRISODIUM SALT

Preferred Name

English

2-NAPHTHALENESULFONIC ACID, 4-HYDROXY-7-((((5-HYDROXY-7-SULFO-2-NAPHTHALENYL)AMINO)CARBONYL)AMINO)-3-((6-SULFO-2-NAPHTHALENYL)AZO)-, TRISODIUM SALT

Systematic Name

English

2-NAPHTHALENESULFONIC ACID, 4-HYDROXY-7-((((5-HYDROXY-7-SULFO-2-NAPHTHALENYL)AMINO)CARBONYL)AMINO)-3-(2-(6-SULFO-2-NAPHTHALENYL)DIAZENYL)-, SODIUM SALT (1:3)

Systematic Name

English

Code System Code Type Description

CAS

84100-93-6