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Details

Stereochemistry ACHIRAL
Molecular Formula C47H47N4O8S2
Molecular Weight 860.028
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge -1

SHOW SMILES / InChI
Structure of N-nitroso-brilliant blue g

SMILES

CCOC1=CC=C(C=C1)N(N=O)C2=CC=C(C=C2)C(C3=CC=C(C=C3C)N(CC)CC4=CC=CC(=C4)S([O-])(=O)=O)=C5C=CC(C=C5C)=[N+](CC)CC6=CC=CC(=C6)S([O-])(=O)=O

InChI

InChIKey=GPBQXAUDFNHURQ-UHFFFAOYSA-M
InChI=1S/C47H48N4O8S2/c1-6-49(31-35-11-9-13-43(29-35)60(53,54)55)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)51(48-52)39-19-23-42(24-20-39)59-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)61(56,57)58/h9-30H,6-8,31-32H2,1-5H3,(H-,53,54,55,56,57,58)/p-1

HIDE SMILES / InChI

Molecular Formula C47H47N4O8S2
Molecular Weight 860.028
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
8RK4FQL6Q9
Record Status Validated (UNII)
Record Version