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Details

Stereochemistry ACHIRAL
Molecular Formula C19H21ClO8S
Molecular Weight 444.883
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LANCOTRIONE

SMILES

CS(=O)(=O)C1=CC=C(C(=O)C2C(=O)CCCC2=O)C(Cl)=C1OCCC3OCCO3

InChI

InChIKey=LCENPEOVNAWOSE-UHFFFAOYSA-N
InChI=1S/C19H21ClO8S/c1-29(24,25)14-6-5-11(18(23)16-12(21)3-2-4-13(16)22)17(20)19(14)28-8-7-15-26-9-10-27-15/h5-6,15-16H,2-4,7-10H2,1H3

HIDE SMILES / InChI

Molecular Formula C19H21ClO8S
Molecular Weight 444.883
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
KMQ9P5LG22
Record Status Validated (UNII)
Record Version