1,1′-[(4-Oxo-2H-1-benzothiopyran-3(4H)-ylidene)bis(methylene)] bis[3-(trifluoromethyl)benzoate]

CAS Registry Number®

338755-74-1
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CAS Name

1,1′-[(4-Oxo-2H-1-benzothiopyran-3(4H)-ylidene)bis(methylene)] bis[3-(trifluoromethyl)benzoate]

Molecular Formula

C27H18F6O5S

Molecular Mass

568.48

Cite this Page

1,1′-[(4-Oxo-2H-1-benzothiopyran-3(4H)-ylidene)bis(methylene)] bis[3-(trifluoromethyl)benzoate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=338755-74-1 (retrieved 2024-08-26) (CAS RN: 338755-74-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H18F6O5S/c28-26(29,30)18-7-3-5-16(11-18)23(35)37-13-25(15-39-21-10-2-1-9-20(21)22(25)34)14-38-24(36)17-6-4-8-19(12-17)27(31,32)33/h1-12H,13-15H2

InChIKey

InChIKey=XYCWMYAPKRNGDE-UHFFFAOYSA-N

SMILES

C(OC(=O)C1=CC(C(F)(F)F)=CC=C1)C2(COC(=O)C3=CC(C(F)(F)F)=CC=C3)C(=O)C=4C(SC2)=CC=CC4

Canonical SMILES

O=C(OCC1(C(=O)C=2C=CC=CC2SC1)COC(=O)C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC(=C4)C(F)(F)F

Other Names for this Substance

  • Benzoic acid, 3-(trifluoromethyl)-, 1,1′-[(4-oxo-2H-1-benzothiopyran-3(4H)-ylidene)bis(methylene)] ester
  • Benzoic acid, 3-(trifluoromethyl)-, (4-oxo-2H-1-benzothiopyran-3(4H)-ylidene)bis(methylene) ester
  • 1,1′-[(4-Oxo-2H-1-benzothiopyran-3(4H)-ylidene)bis(methylene)] bis[3-(trifluoromethyl)benzoate]
  • (4-oxothiochroman-3,3-diyl)bis(methylene) bis(3-(trifluoromethyl)benzoate)