ACID BLUE 22

Details

Stereochemistry	ACHIRAL
Molecular Formula	C32H25N3O9S3.2Na
Molecular Weight	737.73
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].CC1=C(N)C(=CC(=C1)C(C2=CC=C(NC3=CC=C(C=C3)S([O-])(=O)=O)C=C2)=C4C=CC(C=C4)=[NH+]C5=CC=C(C=C5)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=XOSXWYQMOYSSKB-AETMCFOMSA-L

InChI=1S/C32H27N3O9S3.2Na/c1-20-18-23(19-30(32(20)33)47(42,43)44)31(21-2-6-24(7-3-21)34-26-10-14-28(15-11-26)45(36,37)38)22-4-8-25(9-5-22)35-27-12-16-29(17-13-27)46(39,40)41;;/h2-19,34H,33H2,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b31-22-,35-25-;;

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Molecular Formula	C32H25N3O9S3
Molecular Weight	691.751
Charge	-2
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 `Fri Dec 15 17:34:06 GMT 2023` Edited by `admin` on `Fri Dec 15 17:34:06 GMT 2023`
Record UNII	44D829LK4D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACID BLUE 22

Common Name

English

BENZENESULFONIC ACID, AMINOMETHYL((4-((SULFOPHENYL)AMINO)PHENYL)(4-((SULFOPHENYL)IMINO)-2,5-CYCLOHEXADIEN-1-YLIDENE)METHYL)-, SODIUM SALT (1:2)

Systematic Name

English

BENZENESULFONIC ACID, AMINOMETHYL((4-((SULFOPHENYL)AMINO)PHENYL)(4-((SULFOPHENYL)IMINO)-2,5-CYCLOHEXADIEN-1-YLIDENE)METHYL)-, DISODIUM SALT

Common Name

English

NSC-13988

Code

English

CI ACID BLUE 22

Common Name

English

C.I. ACID BLUE 22

Common Name

English

WATER SKY BLUE

Common Name

English

COTTON BLUE

Common Name

English

Code System Code Type Description

CAS

28631-66-5