C.I. Pigment Blue 56

Details

Stereochemistry	ACHIRAL
Molecular Formula	C40H35N3O3S
Molecular Weight	637.789
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC(NC2=CC=C(C=C2)C(C3=CC=C(NC4=CC=C(C(C)=C4)S(O)(=O)=O)C=C3)=C5C=CC(C=C5)=NC6=CC=CC(C)=C6)=CC=C1

InChI

InChIKey=IIXWWFPZFCVALL-XQIFJBBPSA-N

InChI=1S/C40H35N3O3S/c1-27-6-4-8-36(24-27)41-33-16-10-30(11-17-33)40(31-12-18-34(19-13-31)42-37-9-5-7-28(2)25-37)32-14-20-35(21-15-32)43-38-22-23-39(29(3)26-38)47(44,45)46/h4-26,41,43H,1-3H3,(H,44,45,46)/b40-31-,42-34+

HIDE SMILES / InChI

Molecular Formula	C40H35N3O3S
Molecular Weight	637.789
Charge	0
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 08:29:31 GMT 2023` Edited by `admin` on `Sat Dec 16 08:29:31 GMT 2023`
Record UNII	5X8WKV88MN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

C.I. Pigment Blue 56

Common Name

English

2-Methyl-4-[[4-[[4-[(3-methylphenyl)amino]phenyl][4-[(3-methylphenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]phenyl]amino]benzenesulfonic acid

Common Name

English

Benzenesulfonic acid, 2-methyl-4-[[4-[[4-[(3-methylphenyl)amino]phenyl][4-[(3-methylphenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]phenyl]amino]-

Systematic Name

English

Code System Code Type Description

FDA UNII

5X8WKV88MN

Created by admin on Sat Dec 16 08:29:31 GMT 2023 , Edited by admin on Sat Dec 16 08:29:31 GMT 2023

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ECHA (EC/EINECS)

229-139-7

Created by admin on Sat Dec 16 08:29:31 GMT 2023 , Edited by admin on Sat Dec 16 08:29:31 GMT 2023

PRIMARY

CAS

6417-46-5

Created by admin on Sat Dec 16 08:29:31 GMT 2023 , Edited by admin on Sat Dec 16 08:29:31 GMT 2023

PRIMARY

EPA CompTox

DTXSID9064344

Created by admin on Sat Dec 16 08:29:31 GMT 2023 , Edited by admin on Sat Dec 16 08:29:31 GMT 2023

PRIMARY