3,3'-((2,5-DIMETHYL-1,4-PHENYLENE)BIS(IMINO(1-ACETYL-2-OXO-2,1-ETHANEDIYL)AZO))BIS(4-CHLOROBENZOIC ACID)

Details

Stereochemistry	MIXED
Molecular Formula	C30H26Cl2N6O8
Molecular Weight	669.469
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 3,3'-((2,5-DIMETHYL-1,4-PHENYLENE)BIS(IMINO(1-ACETYL-2-OXO-2,1-ETHANEDIYL)AZO))BIS(4-CHLOROBENZOIC ACID)

Structure Search

SMILES

CC(=O)C(\N=N\C1=CC(=CC=C1Cl)C(O)=O)C(=O)NC2=CC(C)=C(NC(=O)C(\N=N\C3=CC(=CC=C3Cl)C(O)=O)C(C)=O)C=C2C

InChI

InChIKey=MFNRAHKNWDJWME-ATXIYDNESA-N

InChI=1S/C30H26Cl2N6O8/c1-13-9-22(34-28(42)26(16(4)40)38-36-24-12-18(30(45)46)6-8-20(24)32)14(2)10-21(13)33-27(41)25(15(3)39)37-35-23-11-17(29(43)44)5-7-19(23)31/h5-12,25-26H,1-4H3,(H,33,41)(H,34,42)(H,43,44)(H,45,46)/b37-35+,38-36+

HIDE SMILES / InChI

Molecular Formula	C30H26Cl2N6O8
Molecular Weight	669.469
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:41:23 GMT 2025` Edited by `admin` on `Mon Mar 31 23:41:23 GMT 2025`
Record UNII	0KW2GDB8SM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,3'-((2,5-DIMETHYL-1,4-PHENYLENE)BIS(IMINO(1-ACETYL-2-OXO-1,2-ETHANEDIYL)AZO))BIS(4-CHLOROBENZOIC ACID)

Preferred Name

English

3,3'-((2,5-DIMETHYL-1,4-PHENYLENE)BIS(IMINO(1-ACETYL-2-OXO-2,1-ETHANEDIYL)AZO))BIS(4-CHLOROBENZOIC ACID)

Systematic Name

English

BENZOIC ACID, 3,3'-((2,5-DIMETHYL-1,4-PHENYLENE)BIS(IMINO(1-ACETYL-2-OXO-2,1-ETHANEDIYL)AZO))BIS(4-CHLORO-

Systematic Name

English

Code System Code Type Description

PUBCHEM

13981353

Created by admin on Mon Mar 31 23:41:23 GMT 2025 , Edited by admin on Mon Mar 31 23:41:23 GMT 2025

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EPA CompTox

DTXSID601110236

Created by admin on Mon Mar 31 23:41:23 GMT 2025 , Edited by admin on Mon Mar 31 23:41:23 GMT 2025

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FDA UNII

0KW2GDB8SM

Created by admin on Mon Mar 31 23:41:23 GMT 2025 , Edited by admin on Mon Mar 31 23:41:23 GMT 2025

PRIMARY

CAS

74351-78-3

Created by admin on Mon Mar 31 23:41:23 GMT 2025 , Edited by admin on Mon Mar 31 23:41:23 GMT 2025

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