4-(3-Thioxo-3H-1,2-dithiol-5-yl)phenyl 2-[4-(nitrooxy)-1-oxobutoxy]benzoate

CAS Registry Number®

1357362-67-4
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CAS Name

4-(3-Thioxo-3H-1,2-dithiol-5-yl)phenyl 2-[4-(nitrooxy)-1-oxobutoxy]benzoate

Molecular Formula

C20H15NO7S3

Molecular Mass

477.53

Cite this Page

4-(3-Thioxo-3H-1,2-dithiol-5-yl)phenyl 2-[4-(nitrooxy)-1-oxobutoxy]benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1357362-67-4 (retrieved 2024-08-04) (CAS RN: 1357362-67-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H15NO7S3/c22-18(6-3-11-26-21(24)25)28-16-5-2-1-4-15(16)20(23)27-14-9-7-13(8-10-14)17-12-19(29)31-30-17/h1-2,4-5,7-10,12H,3,6,11H2

InChIKey

InChIKey=CEDNXFMUAHDZQB-UHFFFAOYSA-N

SMILES

O(C(CCCON(=O)=O)=O)C1=C(C(OC2=CC=C(C=C2)C=3SSC(=S)C3)=O)C=CC=C1

Canonical SMILES

O=C(OC=1C=CC(=CC1)C=2SSC(=S)C2)C=3C=CC=CC3OC(=O)CCCON(=O)=O

Other Names for this Substance

  • Benzoic acid, 2-[4-(nitrooxy)-1-oxobutoxy]-, 4-(3-thioxo-3H-1,2-dithiol-5-yl)phenyl ester
  • 4-(3-Thioxo-3H-1,2-dithiol-5-yl)phenyl 2-[4-(nitrooxy)-1-oxobutoxy]benzoate
  • NBS 1120
  • NOSH-aspirin