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Details

Stereochemistry ACHIRAL
Molecular Formula C33H26N8O15S4
Molecular Weight 902.864
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of DIRECT RED 75 FREE ACID

SMILES

NC1=CC=C2C=C(C=C(O)C2=C1\N=N\C3=CC(=C(NC(=O)NC4=C(C=C(C=C4)\N=N\C5=C6C(O)=CC(=CC6=CC=C5N)S(O)(=O)=O)S(O)(=O)=O)C=C3)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=MGGABNRRGPWLAQ-QYGUTFKISA-N
InChI=1S/C33H26N8O15S4/c34-21-5-1-15-9-19(57(45,46)47)13-25(42)29(15)31(21)40-38-17-3-7-23(27(11-17)59(51,52)53)36-33(44)37-24-8-4-18(12-28(24)60(54,55)56)39-41-32-22(35)6-2-16-10-20(58(48,49)50)14-26(43)30(16)32/h1-14,42-43H,34-35H2,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)/b40-38+,41-39+

HIDE SMILES / InChI

Molecular Formula C33H26N8O15S4
Molecular Weight 902.864
Charge 0
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
4H6JJ8X9LS
Record Status Validated (UNII)
Record Version