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Details

Stereochemistry MIXED
Molecular Formula C34H28Cl4N6O4
Molecular Weight 726.436
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of PIGMENT YELLOW 16

SMILES

CC(=O)C(\N=N\C1=C(Cl)C=C(Cl)C=C1)C(=O)NC2=CC=C(C=C2C)C3=CC=C(NC(=O)C(\N=N\C4=C(Cl)C=C(Cl)C=C4)C(C)=O)C(C)=C3

InChI

InChIKey=JFMYRCRXYIIGBB-CHQNLTHESA-N
InChI=1S/C34H28Cl4N6O4/c1-17-13-21(5-9-27(17)39-33(47)31(19(3)45)43-41-29-11-7-23(35)15-25(29)37)22-6-10-28(18(2)14-22)40-34(48)32(20(4)46)44-42-30-12-8-24(36)16-26(30)38/h5-16,31-32H,1-4H3,(H,39,47)(H,40,48)/b43-41+,44-42+

HIDE SMILES / InChI

Molecular Formula C34H28Cl4N6O4
Molecular Weight 726.436
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
R3896P1A0H
Record Status Validated (UNII)
Record Version