Acid Blue 140

Details

Stereochemistry	ACHIRAL
Molecular Formula	C36H34Br2N2O8S2.2Na
Molecular Weight	892.581
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].CCCCC1=CC(C)=C(NC2=CC=C(NC3=C(C)C=C(CCCC)C(=C3Br)S([O-])(=O)=O)C4=C2C(=O)C5=C(C=CC=C5)C4=O)C(Br)=C1S([O-])(=O)=O

InChI

InChIKey=RPLREUASRUWDQJ-UHFFFAOYSA-L

InChI=1S/C36H36Br2N2O8S2.2Na/c1-5-7-11-21-17-19(3)31(29(37)35(21)49(43,44)45)39-25-15-16-26(28-27(25)33(41)23-13-9-10-14-24(23)34(28)42)40-32-20(4)18-22(12-8-6-2)36(30(32)38)50(46,47)48;;/h9-10,13-18,39-40H,5-8,11-12H2,1-4H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula	C36H34Br2N2O8S2
Molecular Weight	846.602
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 19:51:30 GMT 2023` Edited by `admin` on `Sat Dec 16 19:51:30 GMT 2023`
Record UNII	L5L8Y9HJE4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Acid Blue 140

Common Name

English

Benzenesulfonic acid, 3,3′-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[2-bromo-6-butyl-4-methyl-, disodium salt

Systematic Name

English

Code System Code Type Description

PUBCHEM

44149046