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Details

Stereochemistry ACHIRAL
Molecular Formula C14H13O6S
Molecular Weight 309.314
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge -1

SHOW SMILES / InChI
Structure of BENZO(B)CYCLOHEPTA(D)PYRAN-6(7H)-ONE, 8,9,10,11-TETRAHYDRO-3-(SULFOOXY)-, ION(1-)

SMILES

[O-]S(=O)(=O)OC1=CC=C2C(OC(=O)C3=C2CCCCC3)=C1

InChI

InChIKey=ANMUEHHXNVTFEJ-UHFFFAOYSA-M
InChI=1S/C14H14O6S/c15-14-12-5-3-1-2-4-10(12)11-7-6-9(8-13(11)19-14)20-21(16,17)18/h6-8H,1-5H2,(H,16,17,18)/p-1

HIDE SMILES / InChI

Molecular Formula C14H14O6S
Molecular Weight 310.322
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:40:25 UTC 2023
Edited
by admin
on Sat Dec 16 15:40:25 UTC 2023
Record UNII
H2LCP29PDI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZO(B)CYCLOHEPTA(D)PYRAN-6(7H)-ONE, 8,9,10,11-TETRAHYDRO-3-(SULFOOXY)-, ION(1-)
Systematic Name English
IROSUSTAT METABOLITE M17
Common Name English
Code System Code Type Description
PUBCHEM
146048023
Created by admin on Sat Dec 16 15:40:25 UTC 2023 , Edited by admin on Sat Dec 16 15:40:25 UTC 2023
PRIMARY
FDA UNII
H2LCP29PDI
Created by admin on Sat Dec 16 15:40:25 UTC 2023 , Edited by admin on Sat Dec 16 15:40:25 UTC 2023
PRIMARY
CAS
319929-11-8
Created by admin on Sat Dec 16 15:40:25 UTC 2023 , Edited by admin on Sat Dec 16 15:40:25 UTC 2023
PRIMARY
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