2-[[3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]thio]benzoic acid

CAS Registry Number®

325850-81-5
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CAS Name

2-[[3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]thio]benzoic acid

Molecular Formula

C22H17NO4S

Molecular Mass

391.44

Cite this Page

2-[[3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]thio]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=325850-81-5 (retrieved 2024-09-07) (CAS RN: 325850-81-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H17NO4S/c24-20-16-9-3-6-14-7-4-10-17(19(14)16)21(25)23(20)12-5-13-28-18-11-2-1-8-15(18)22(26)27/h1-4,6-11H,5,12-13H2,(H,26,27)

InChIKey

InChIKey=GMVZUCHUOYUMLL-UHFFFAOYSA-N

SMILES

O=C1C=2C=3C(C(=O)N1CCCSC4=C(C(O)=O)C=CC=C4)=CC=CC3C=CC2

Canonical SMILES

O=C(O)C=1C=CC=CC1SCCCN2C(=O)C=3C=CC=C4C=CC=C(C2=O)C43

Other Names for this Substance

  • Benzoic acid, 2-[[3-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]thio]-
  • 2-[[3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]thio]benzoic acid
  • 2-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]benzoic acid
  • 2-[[3-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]thio]benzoic acid
  • GRI 977143