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

CAS Registry Number®

1280787-23-6
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CAS Name

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

Molecular Formula

C15H13NO4S

Molecular Mass

303.33

Cite this Page

Methyl 3-[(4-methylphenyl)thio]-4-nitrobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1280787-23-6 (retrieved 2024-07-07) (CAS RN: 1280787-23-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H13NO4S/c1-10-3-6-12(7-4-10)21-14-9-11(15(17)20-2)5-8-13(14)16(18)19/h3-9H,1-2H3

InChIKey

InChIKey=XCZJXKQJMHVPIP-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OC)C1=CC=C(C(SC2=CC=C(C=C2)C)=C1)N(=O)=O

Other Names for this Substance

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