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

CAS Registry Number®

346665-98-3
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CAS Name

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

Molecular Formula

C31H29NO5

Molecular Mass

495.57

Cite this Page

2-(1,3,3a,4,9,9a-Hexahydro-1,3-dioxo-4,9[1′,2′]-benzeno-2H-benz[f]isoindol-2-yl)ethyl 4-butoxybenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=346665-98-3 (retrieved 2024-09-07) (CAS RN: 346665-98-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H29NO5/c1-2-3-17-36-20-14-12-19(13-15-20)31(35)37-18-16-32-29(33)27-25-21-8-4-5-9-22(21)26(28(27)30(32)34)24-11-7-6-10-23(24)25/h4-15,25-28H,2-3,16-18H2,1H3

InChIKey

InChIKey=BUCKVJYXWCTWCY-UHFFFAOYSA-N

SMILES

O=C1C2C3C=4C(C(C2C(=O)N1CCOC(=O)C5=CC=C(OCCCC)C=C5)C=6C3=CC=CC6)=CC=CC4

Canonical SMILES

O=C(OCCN1C(=O)C2C3C=4C=CC=CC4C(C=5C=CC=CC53)C2C1=O)C6=CC=C(OCCCC)C=C6

Other Names for this Substance

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