3-Buten-2-one, 3-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-4-(3-nitrophenyl)-

CAS Registry Number®

111011-78-0
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CAS Name

3-Buten-2-one, 3-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-4-(3-nitrophenyl)-

Molecular Formula

C15H18NO6P

Molecular Mass

339.28

Cite this Page

3-Buten-2-one, 3-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-4-(3-nitrophenyl)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=111011-78-0 (retrieved 2024-09-17) (CAS RN: 111011-78-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H18NO6P/c1-11(17)14(23(20)21-9-15(2,3)10-22-23)8-12-5-4-6-13(7-12)16(18)19/h4-8H,9-10H2,1-3H3

InChIKey

InChIKey=UMECHLASJBPFHE-UHFFFAOYSA-N

SMILES

C(=CC1=CC(N(=O)=O)=CC=C1)(C(C)=O)P2(=O)OCC(C)(C)CO2

Canonical SMILES

O=C(C(=CC1=CC=CC(=C1)N(=O)=O)P2(=O)OCC(C)(C)CO2)C

Other Names for this Substance

  • 3-Buten-2-one, 3-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-4-(3-nitrophenyl)-
  • 3-Buten-2-one, 3-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-4-(3-nitrophenyl)-, P-oxide
  • 1,3,2-Dioxaphosphorinane, 3-buten-2-one deriv.

Deleted or Replaced CAS Registry Numbers

128531-67-9