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Details

Stereochemistry ACHIRAL
Molecular Formula C19H12Cl3N3O5S
Molecular Weight 500.74
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PTX-031553

SMILES

[O-][N+](=O)C1=CC(=CC=C1Cl)S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)NC3=CC=C(Cl)C=C3

InChI

InChIKey=BFXLAXBXCXOWNH-UHFFFAOYSA-N
InChI=1S/C19H12Cl3N3O5S/c20-11-1-4-13(5-2-11)23-19(26)15-9-12(21)3-8-17(15)24-31(29,30)14-6-7-16(22)18(10-14)25(27)28/h1-10,24H,(H,23,26)

HIDE SMILES / InChI

Molecular Formula C19H12Cl3N3O5S
Molecular Weight 500.74
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
AE6KEM2QKQ
Record Status Validated (UNII)
Record Version