4-(Cyclopentylthio)-3-nitrobenzoic acid

CAS Registry Number®

893764-79-9

CAS Name

4-(Cyclopentylthio)-3-nitrobenzoic acid

Molecular Formula

C12H13NO4S

Molecular Mass

267.30

Cite this Page

4-(Cyclopentylthio)-3-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=893764-79-9 (retrieved 2024-10-04) (CAS RN: 893764-79-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H13NO4S/c14-12(15)8-5-6-11(10(7-8)13(16)17)18-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,14,15)

InChIKey

InChIKey=QFRRVRJMPRJHQD-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(SC2CCCC2)C=CC(C(O)=O)=C1

Canonical SMILES

O=C(O)C1=CC=C(SC2CCCC2)C(=C1)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 4-(cyclopentylthio)-3-nitro-
  • 4-(Cyclopentylthio)-3-nitrobenzoic acid

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