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Details

Stereochemistry ACHIRAL
Molecular Formula C36H30Cl2N2O13
Molecular Weight 769.535
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FLUO-3

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(Cl)C(=O)C=C4OC5=C3C=C(Cl)C(O)=C5)=C1

InChI

InChIKey=OZLGRUXZXMRXGP-UHFFFAOYSA-N
InChI=1S/C36H30Cl2N2O13/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 C36H30Cl2N2O13
Molecular Weight 769.535
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

PubMed

Substance Class Chemical
Record UNII
23D4W0B50Y
Record Status Validated (UNII)
Record Version