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Details

Stereochemistry ACHIRAL
Molecular Formula C28H26N5O.Cl
Molecular Weight 483.992
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BASIC BLACK 2

SMILES

[Cl-].CCN(CC)C1=CC2=[N+](C3=CC=CC=C3)C4=C(C=CC(NN=C5C=CC(=O)C=C5)=C4)N=C2C=C1

InChI

InChIKey=VJDDAARZIFHSQY-UHFFFAOYSA-N
InChI=1S/C28H25N5O.ClH/c1-3-32(4-2)23-13-17-26-28(19-23)33(22-8-6-5-7-9-22)27-18-21(12-16-25(27)29-26)31-30-20-10-14-24(34)15-11-20;/h5-19H,3-4H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula Cl
Molecular Weight 35.453
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C28H26N5O
Molecular Weight 448.5389
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
7ACC9DVV5M
Record Status Validated (UNII)
Record Version