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Details

Stereochemistry ACHIRAL
Molecular Formula C37H34N2O9S3.2Na
Molecular Weight 792.848
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DISODIUM N-ETHYL-N-4-((4-(ETHYL((4-SULFOPHENYL)METHYL)AMINO)PHENYL)(2-SULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-4-SULFOBENZENEMETHANAMINIUM

SMILES

[Na+].[Na+].CCN(CC1=CC=C(C=C1)S([O-])(=O)=O)C2=CC=C(C=C2)C(=C3C=CC(C=C3)=[N+](CC)CC4=CC=C(C=C4)S([O-])(=O)=O)C5=C(C=CC=C5)S([O-])(=O)=O

InChI

InChIKey=JUOPAVUCOCCTBO-UHFFFAOYSA-L
InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-9-21-33(22-10-27)49(40,41)42)31-17-13-29(14-18-31)37(35-7-5-6-8-36(35)51(46,47)48)30-15-19-32(20-16-30)39(4-2)26-28-11-23-34(24-12-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2

HIDE SMILES / InChI

Approval Year

Name Type Language
DISODIUM N-ETHYL-N-4-((4-(ETHYL((4-SULFOPHENYL)METHYL)AMINO)PHENYL)(2-SULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-4-SULFOBENZENEMETHANAMINIUM
Common Name English
BENZENEMETHANAMINIUM, N-ETHYL-N-(4-((4-(ETHYL((4-SULFOPHENYL)METHYL)AMINO)PHENYL)(2-SULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-4-SULFO-, INNER SALT, SODIUM SALT
Systematic Name English
DISODIUM SALTS OF ETHYL(4-(P-(ETHYL(P-SULFOBENZYL)AMINO)-(ALPHA)-(O-SULFOPHENYL)BENZYLIDENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)(P-SULFOBENZYL)AMMONIUM HYDROXIDE INNER SALT
Common Name English
Code System Code Type Description
CAS
105666-88-4
Created by admin on Fri Dec 15 16:28:23 GMT 2023 , Edited by admin on Fri Dec 15 16:28:23 GMT 2023
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PUBCHEM
73415850
Created by admin on Fri Dec 15 16:28:23 GMT 2023 , Edited by admin on Fri Dec 15 16:28:23 GMT 2023
PRIMARY
FDA UNII
QNV480LDK2
Created by admin on Fri Dec 15 16:28:23 GMT 2023 , Edited by admin on Fri Dec 15 16:28:23 GMT 2023
PRIMARY