S 3I201

CAS Registry Number®

501919-59-1
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CAS Name

S 3I201

Molecular Formula

C16H15NO7S

Molecular Mass

365.36

Cite this Page

S 3I201.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=501919-59-1 (retrieved 2024-04-29) (CAS RN: 501919-59-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H15NO7S/c1-10-2-5-12(6-3-10)25(22,23)24-9-15(19)17-11-4-7-13(16(20)21)14(18)8-11/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)

InChIKey

InChIKey=HWNUSGNZBAISFM-UHFFFAOYSA-N

SMILES

S(OCC(NC1=CC(O)=C(C(O)=O)C=C1)=O)(=O)(=O)C2=CC=C(C)C=C2

Canonical SMILES

O=C(O)C1=CC=C(C=C1O)NC(=O)COS(=O)(=O)C2=CC=C(C=C2)C

Other Names for this Substance

  • Benzoic acid, 2-hydroxy-4-[[2-[[(4-methylphenyl)sulfonyl]oxy]acetyl]amino]-
  • Benzoic acid, 2-hydroxy-4-[[[[(4-methylphenyl)sulfonyl]oxy]acetyl]amino]-
  • 2-Hydroxy-4-[[2-[[(4-methylphenyl)sulfonyl]oxy]acetyl]amino]benzoic acid
  • NSC 74859
  • S 3I201

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Deleted or Replaced CAS Registry Numbers

1651228-19-1

CAS INSIGHTSTM
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