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

CAS Registry Number®

478029-44-6
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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-methylbenzoate

Molecular Formula

C26H19NO4

Molecular Mass

409.43

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-methylbenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=478029-44-6 (retrieved 2024-08-09) (CAS RN: 478029-44-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H19NO4/c1-14-7-6-8-15(13-14)26(30)31-27-24(28)22-20-16-9-2-3-10-17(16)21(23(22)25(27)29)19-12-5-4-11-18(19)20/h2-13,20-23H,1H3

InChIKey

InChIKey=OTCDRGGTNJKWAM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-methyl-, 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, 3a,4,9,9a-tetrahydro-2-[(3-methylbenzoyl)oxy]-
  • 1,3,3a,4,9,9a-Hexahydro-1,3-dioxo-4,9[1′,2′]-benzeno-2H-benz[f]isoindol-2-yl 3-methylbenzoate