3,3'-((4-((2-Chloro-4,6-dinitrophenyl)azo)naphthyl)imino)bispropane-1,2-diol

Details

Stereochemistry	MIXED
Molecular Formula	C22H22ClN5O8
Molecular Weight	519.892
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3,3'-((4-((2-Chloro-4,6-dinitrophenyl)azo)naphthyl)imino)bispropane-1,2-diol

Structure Search

SMILES

OCC(O)CN(CC(O)CO)C1=CC=C(\N=N\C2=C(C=C(C=C2Cl)[N+]([O-])=O)[N+]([O-])=O)C3=C1C=CC=C3

InChI

InChIKey=AIPKWLSKNQFYJL-OCOZRVBESA-N

InChI=1S/C22H22ClN5O8/c23-18-7-13(27(33)34)8-21(28(35)36)22(18)25-24-19-5-6-20(17-4-2-1-3-16(17)19)26(9-14(31)11-29)10-15(32)12-30/h1-8,14-15,29-32H,9-12H2/b25-24+

HIDE SMILES / InChI

Molecular Formula	C22H22ClN5O8
Molecular Weight	519.892
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:33:52 GMT 2025` Edited by `admin` on `Wed Apr 02 19:33:52 GMT 2025`
Record UNII	QU8WET6247
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,2-Propanediol,3,3?-[[4-[(2-chloro-4,6-dinitrophenyl)azo]-1-naphthalenyl]imino]bis-

Preferred Name

English

3,3'-((4-((2-Chloro-4,6-dinitrophenyl)azo)naphthyl)imino)bispropane-1,2-diol

Systematic Name

English

Code System Code Type Description

FDA UNII

QU8WET6247

Created by admin on Wed Apr 02 19:33:52 GMT 2025 , Edited by admin on Wed Apr 02 19:33:52 GMT 2025

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EPA CompTox

DTXSID901127101

Created by admin on Wed Apr 02 19:33:52 GMT 2025 , Edited by admin on Wed Apr 02 19:33:52 GMT 2025

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CAS

67827-62-7

Created by admin on Wed Apr 02 19:33:52 GMT 2025 , Edited by admin on Wed Apr 02 19:33:52 GMT 2025

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PUBCHEM

106846

Created by admin on Wed Apr 02 19:33:52 GMT 2025 , Edited by admin on Wed Apr 02 19:33:52 GMT 2025

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