2-[(Carboxymethyl)thio]-5-nitrobenzoic acid

CAS Registry Number®

26759-50-2
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CAS Name

2-[(Carboxymethyl)thio]-5-nitrobenzoic acid

Molecular Formula

C9H7NO6S

Molecular Mass

257.22

Cite this Page

2-[(Carboxymethyl)thio]-5-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=26759-50-2 (retrieved 2024-09-11) (CAS RN: 26759-50-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    215-217 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H7NO6S/c11-8(12)4-17-7-2-1-5(10(15)16)3-6(7)9(13)14/h1-3H,4H2,(H,11,12)(H,13,14)

InChIKey

InChIKey=OHUNNGBOLPPURJ-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C(SCC(O)=O)C=CC(N(=O)=O)=C1

Canonical SMILES

O=C(O)C1=CC(=CC=C1SCC(=O)O)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 2-[(carboxymethyl)thio]-5-nitro-
  • 2-[(Carboxymethyl)thio]-5-nitrobenzoic acid
  • 2-[(Carboxymethyl)sulfanyl]-5-nitrobenzoic acid
  • 2-Carboxymethylsulfanyl-5-nitro-benzoic acid