Benzenemethanol, 2-(cyclohexylthio)-5-nitro-, 1-(4-nitrobenzoate)

CAS Registry Number®

331460-22-1

CAS Name

Benzenemethanol, 2-(cyclohexylthio)-5-nitro-, 1-(4-nitrobenzoate)

Molecular Formula

C20H20N2O6S

Molecular Mass

416.45

Cite this Page

Benzenemethanol, 2-(cyclohexylthio)-5-nitro-, 1-(4-nitrobenzoate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=331460-22-1 (retrieved 2024-10-05) (CAS RN: 331460-22-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H20N2O6S/c23-20(14-6-8-16(9-7-14)21(24)25)28-13-15-12-17(22(26)27)10-11-19(15)29-18-4-2-1-3-5-18/h6-12,18H,1-5,13H2

InChIKey

InChIKey=YNOXUIYJWQZKJF-UHFFFAOYSA-N

SMILES

C(OC(=O)C1=CC=C(N(=O)=O)C=C1)C2=C(SC3CCCCC3)C=CC(N(=O)=O)=C2

Canonical SMILES

O=C(OCC1=CC(=CC=C1SC2CCCCC2)N(=O)=O)C3=CC=C(C=C3)N(=O)=O

Other Names for this Substance

  • Benzenemethanol, 2-(cyclohexylthio)-5-nitro-, 1-(4-nitrobenzoate)
  • Benzenemethanol, 2-(cyclohexylthio)-5-nitro-, 4-nitrobenzoate (ester)

CAS INSIGHTSTM
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