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Details

Stereochemistry ACHIRAL
Molecular Formula C34H23N4O6S2.Na
Molecular Weight 670.689
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 7-phenyl-5,9-bis(phenylamino)-4,10-disulfonatobenzo[a]phenazinium

SMILES

[Na+].[O-]S(=O)(=O)C1=CC=CC2=C1C(NC3=CC=CC=C3)=CC4=[N+](C5=CC=CC=C5)C6=CC(NC7=CC=CC=C7)=C(C=C6N=C24)S([O-])(=O)=O

InChI

InChIKey=RBYJOOWYRXEJAM-UHFFFAOYSA-M
InChI=1S/C34H24N4O6S2.Na/c39-45(40,41)31-18-10-17-25-33(31)28(36-23-13-6-2-7-14-23)20-30-34(25)37-26-21-32(46(42,43)44)27(35-22-11-4-1-5-12-22)19-29(26)38(30)24-15-8-3-9-16-24;/h1-21H,(H3,35,36,39,40,41,42,43,44);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C34H23N4O6S2
Molecular Weight 647.7
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
HWZ4YK76V6
Record Status Validated (UNII)
Record Version