1,3,3a,4,9,9a-Hexahydro-1,3-dioxo-4,9[1′,2′]-benzeno-2H-benz[f]isoindol-2-yl 3-chlorobenzoate

CAS Registry Number®

478029-49-1
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CAS Name

1,3,3a,4,9,9a-Hexahydro-1,3-dioxo-4,9[1′,2′]-benzeno-2H-benz[f]isoindol-2-yl 3-chlorobenzoate

Molecular Formula

C25H16ClNO4

Molecular Mass

429.85

Cite this Page

1,3,3a,4,9,9a-Hexahydro-1,3-dioxo-4,9[1′,2′]-benzeno-2H-benz[f]isoindol-2-yl 3-chlorobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=478029-49-1 (retrieved 2024-07-06) (CAS RN: 478029-49-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H16ClNO4/c26-14-7-5-6-13(12-14)25(30)31-27-23(28)21-19-15-8-1-2-9-16(15)20(22(21)24(27)29)18-11-4-3-10-17(18)19/h1-12,19-22H

InChIKey

InChIKey=GOYBXSVMHRLAGF-UHFFFAOYSA-N

SMILES

O=C1C2C3C=4C(C(C2C(=O)N1OC(=O)C5=CC(Cl)=CC=C5)C=6C3=CC=CC6)=CC=CC4

Canonical SMILES

O=C(ON1C(=O)C2C3C=4C=CC=CC4C(C=5C=CC=CC53)C2C1=O)C=6C=CC=C(Cl)C6

Other Names for this Substance

  • Benzoic acid, 3-chloro-, 1,3,3a,4,9,9a-hexahydro-1,3-dioxo-4,9[1′,2′]-benzeno-2H-benz[f]isoindol-2-yl ester
  • 4,9[1′,2′]-Benzeno-1H-benz[f]isoindole-1,3(2H)-dione, 2-[(3-chlorobenzoyl)oxy]-3a,4,9,9a-tetrahydro-
  • 1,3,3a,4,9,9a-Hexahydro-1,3-dioxo-4,9[1′,2′]-benzeno-2H-benz[f]isoindol-2-yl 3-chlorobenzoate