Methyl 4-[(4-methylphenyl)sulfonyl]-3-nitrobenzoate

CAS Registry Number®

477871-40-2
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CAS Name

Methyl 4-[(4-methylphenyl)sulfonyl]-3-nitrobenzoate

Molecular Formula

C15H13NO6S

Molecular Mass

335.33

Cite this Page

Methyl 4-[(4-methylphenyl)sulfonyl]-3-nitrobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=477871-40-2 (retrieved 2024-09-10) (CAS RN: 477871-40-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H13NO6S/c1-10-3-6-12(7-4-10)23(20,21)14-8-5-11(15(17)22-2)9-13(14)16(18)19/h3-9H,1-2H3

InChIKey

InChIKey=AMEPIXUADUTMFD-UHFFFAOYSA-N

SMILES

S(=O)(=O)(C1=C(N(=O)=O)C=C(C(OC)=O)C=C1)C2=CC=C(C)C=C2

Canonical SMILES

O=C(OC)C1=CC=C(C(=C1)N(=O)=O)S(=O)(=O)C2=CC=C(C=C2)C

Other Names for this Substance

  • Benzoic acid, 4-[(4-methylphenyl)sulfonyl]-3-nitro-, methyl ester
  • Methyl 4-[(4-methylphenyl)sulfonyl]-3-nitrobenzoate