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

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H22N4O12S3
Molecular Weight	738.721
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0
Stereo Comments	Azo bond, 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

Structure Search

SMILES

OC1=CC(=CC2=CC(NC(=O)NC3=CC4=CC(=C(\N=N\C5=CC=C6C=C(C=CC6=C5)S(O)(=O)=O)C(O)=C4C=C3)S(O)(=O)=O)=CC=C12)S(O)(=O)=O

InChI

InChIKey=HIVSSNOQZTVJKW-XAHDOWKMSA-N

InChI=1S/C31H22N4O12S3/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)/b35-34+

HIDE SMILES / InChI

Molecular Formula	C31H22N4O12S3
Molecular Weight	738.721
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 23:25:08 GMT 2025` Edited by `admin` on `Mon Mar 31 23:25:08 GMT 2025`
Record UNII	T6OZDY44V0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-45616

Preferred Name

English

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

Common Name

English

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

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)-

Systematic Name

English

Code System Code Type Description

FDA UNII

T6OZDY44V0

Created by admin on Mon Mar 31 23:25:08 GMT 2025 , Edited by admin on Mon Mar 31 23:25:08 GMT 2025

PRIMARY

NSC

45616

Created by admin on Mon Mar 31 23:25:08 GMT 2025 , Edited by admin on Mon Mar 31 23:25:08 GMT 2025

PRIMARY

CAS

66217-02-5

Created by admin on Mon Mar 31 23:25:08 GMT 2025 , Edited by admin on Mon Mar 31 23:25:08 GMT 2025

PRIMARY

Related Record Type Details


					P88MHX94YG

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

SALT/SOLVATE -> PARENT