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Details

Stereochemistry ACHIRAL
Molecular Formula C29H24N6
Molecular Weight 456.5411
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of SOLVENT BLACK 3

SMILES

CC1(C)NC2=CC=CC3=C(C=CC(N1)=C23)\N=N\C4=CC=C(\N=N\C5=CC=CC=C5)C6=CC=CC=C46

InChI

InChIKey=YCUVUDODLRLVIC-VPHDGDOJSA-N
InChI=1S/C29H24N6/c1-29(2)30-26-14-8-13-22-25(17-18-27(31-29)28(22)26)35-34-24-16-15-23(20-11-6-7-12-21(20)24)33-32-19-9-4-3-5-10-19/h3-18,30-31H,1-2H3/b33-32+,35-34+

HIDE SMILES / InChI

Molecular Formula C29H24N6
Molecular Weight 456.5411
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
9YDL1Q990E
Record Status Validated (UNII)
Record Version