U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C36H30F2N2O13
Molecular Weight 736.6258
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FLUO-4

SMILES

CC1=CC=C(N(CC(O)=O)CC(O)=O)C(OCCOC2=CC(=CC=C2N(CC(O)=O)CC(O)=O)C3=C4C=C(F)C(=O)C=C4OC5=C3C=C(F)C(O)=C5)=C1

InChI

InChIKey=OUVXYXNWSVIOSJ-UHFFFAOYSA-N
InChI=1S/C36H30F2N2O13/c1-18-2-4-24(39(14-32(43)44)15-33(45)46)30(8-18)51-6-7-52-31-9-19(3-5-25(31)40(16-34(47)48)17-35(49)50)36-20-10-22(37)26(41)12-28(20)53-29-13-27(42)23(38)11-21(29)36/h2-5,8-13,41H,6-7,14-17H2,1H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)

HIDE SMILES / InChI

Molecular Formula C36H30F2N2O13
Molecular Weight 736.6258
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
8BZ6LK30PL
Record Status Validated (UNII)
Record Version