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Details

Stereochemistry ACHIRAL
Molecular Formula C48H26N6O4
Molecular Weight 750.7578
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of PIGMENT RED 178

SMILES

O=C1N(C2=CC=C(C=C2)\N=N\C3=CC=CC=C3)C(=O)C4=C5C1=CC=C6C7=CC=C8C(=O)N(C9=CC=C(C=C9)\N=N\C%10=CC=CC=C%10)C(=O)C%11=C8C7=C(C=C%11)C(C=C4)=C56

InChI

InChIKey=PXUJYZVHENREBB-BILXIUEVSA-N
InChI=1S/C48H26N6O4/c55-45-37-23-19-33-35-21-25-39-44-40(48(58)54(47(39)57)32-17-13-30(14-18-32)52-50-28-9-5-2-6-10-28)26-22-36(42(35)44)34-20-24-38(43(37)41(33)34)46(56)53(45)31-15-11-29(12-16-31)51-49-27-7-3-1-4-8-27/h1-26H/b51-49+,52-50+

HIDE SMILES / InChI

Molecular Formula C48H26N6O4
Molecular Weight 750.7578
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
5RL942J1M2
Record Status Validated (UNII)
Record Version