Benzoic acid, 4-nitro-, 2-ethylhexyl ester

CAS Registry Number®

16397-70-9
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CAS Name

Benzoic acid, 4-nitro-, 2-ethylhexyl ester

Molecular Formula

C15H21NO4

Molecular Mass

279.33

Cite this Page

Benzoic acid, 4-nitro-, 2-ethylhexyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16397-70-9 (retrieved 2024-06-26) (CAS RN: 16397-70-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H21NO4/c1-3-5-6-12(4-2)11-20-15(17)13-7-9-14(10-8-13)16(18)19/h7-10,12H,3-6,11H2,1-2H3

InChIKey

InChIKey=NPSJHQMIVNJLNN-UHFFFAOYSA-N

SMILES

C(OCC(CCCC)CC)(=O)C1=CC=C(N(=O)=O)C=C1

Canonical SMILES

O=C(OCC(CC)CCCC)C1=CC=C(C=C1)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 4-nitro-, 2-ethylhexyl ester
  • Benzoic acid, p-nitro-, 2-ethylhexyl ester
  • 2-Ethylhexyl p-nitrobenzoate
  • 2-Ethylhexyl 4-nitrobenzoate

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