U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C40H26N2O4
Molecular Weight 598.6454
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PIGMENT RED 149

SMILES

CC1=CC(=CC(C)=C1)N2C(=O)C3=CC=C4C5=CC=C6C(=O)N(C(=O)C7=C6C5=C(C=C7)C8=CC=C(C2=O)C3=C48)C9=CC(C)=CC(C)=C9

InChI

InChIKey=FDXVHZCFTCIKDD-UHFFFAOYSA-N
InChI=1S/C40H26N2O4/c1-19-13-20(2)16-23(15-19)41-37(43)29-9-5-25-27-7-11-31-36-32(40(46)42(39(31)45)24-17-21(3)14-22(4)18-24)12-8-28(34(27)36)26-6-10-30(38(41)44)35(29)33(25)26/h5-18H,1-4H3

HIDE SMILES / InChI

Molecular Formula C40H26N2O4
Molecular Weight 598.6454
Charge 0
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
ZZA8XO3AWA
Record Status Validated (UNII)
Record Version