ACID BLUE 182

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H17N3O9S2.2Na
Molecular Weight	589.505
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].CN(C(C)=O)C1=CC=C(NC2=CC(=C(N)C3=C2C(=O)C4=C(C=CC=C4)C3=O)S([O-])(=O)=O)C(=C1)S([O-])(=O)=O

InChI

InChIKey=ZOESAMNEZGSOPU-UHFFFAOYSA-L

InChI=1S/C23H19N3O9S2.2Na/c1-11(27)26(2)12-7-8-15(17(9-12)36(30,31)32)25-16-10-18(37(33,34)35)21(24)20-19(16)22(28)13-5-3-4-6-14(13)23(20)29;;/h3-10,25H,24H2,1-2H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula	C23H17N3O9S2
Molecular Weight	543.526
Charge	-2
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:20:59 GMT 2023` Edited by `admin` on `Sat Dec 16 10:20:59 GMT 2023`
Record UNII	E00JAV469L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACID BLUE 182

Common Name

English

2-ANTHRACENESULFONIC ACID, 4-((4-(ACETYLMETHYLAMINO)-2-SULFOPHENYL)AMINO)-1-AMINO-9,10-DIHYDRO-9,10-DIOXO-, SODIUM SALT (1:2)

Systematic Name

English

2-ANTHRACENESULFONIC ACID, 4-((4-(ACETYLMETHYLAMINO)-2-SULFOPHENYL)AMINO)-1-AMINO-9,10-DIHYDRO-9,10-DIOXO-, DISODIUM SALT

Common Name

English

Code System Code Type Description

CAS

12219-26-0