3-(1,3,3a,4,9,9a-Hexahydro-1,3-dioxo-4,9[1′,2′]-benzeno-2H-benz[f]isoindol-2-yl)benzoic acid

CAS Registry Number®

313653-93-9
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CAS Name

3-(1,3,3a,4,9,9a-Hexahydro-1,3-dioxo-4,9[1′,2′]-benzeno-2H-benz[f]isoindol-2-yl)benzoic acid

Molecular Formula

C25H17NO4

Molecular Mass

395.41

Cite this Page

3-(1,3,3a,4,9,9a-Hexahydro-1,3-dioxo-4,9[1′,2′]-benzeno-2H-benz[f]isoindol-2-yl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=313653-93-9 (retrieved 2024-09-07) (CAS RN: 313653-93-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H17NO4/c27-23-21-19-15-8-1-2-9-16(15)20(18-11-4-3-10-17(18)19)22(21)24(28)26(23)14-7-5-6-13(12-14)25(29)30/h1-12,19-22H,(H,29,30)

InChIKey

InChIKey=FTUWSZLTOPTYLV-UHFFFAOYSA-N

SMILES

O=C1C2C3C=4C(C(C2C(=O)N1C5=CC(C(O)=O)=CC=C5)C=6C3=CC=CC6)=CC=CC4

Canonical SMILES

O=C(O)C1=CC=CC(=C1)N2C(=O)C3C4C=5C=CC=CC5C(C=6C=CC=CC64)C3C2=O

Other Names for this Substance

  • Benzoic acid, 3-(1,3,3a,4,9,9a-hexahydro-1,3-dioxo-4,9[1′,2′]-benzeno-2H-benz[f]isoindol-2-yl)-
  • 3-(1,3,3a,4,9,9a-Hexahydro-1,3-dioxo-4,9[1′,2′]-benzeno-2H-benz[f]isoindol-2-yl)benzoic acid