Ethanol, 2-(4-isothiocyanatophenoxy)-, 1-(4-methylbenzenesulfonate)

CAS Registry Number®

155863-33-5
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CAS Name

Ethanol, 2-(4-isothiocyanatophenoxy)-, 1-(4-methylbenzenesulfonate)

Molecular Formula

C16H15NO4S2

Molecular Mass

349.42

Cite this Page

Ethanol, 2-(4-isothiocyanatophenoxy)-, 1-(4-methylbenzenesulfonate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=155863-33-5 (retrieved 2024-04-29) (CAS RN: 155863-33-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H15NO4S2/c1-13-2-8-16(9-3-13)23(18,19)21-11-10-20-15-6-4-14(5-7-15)17-12-22/h2-9H,10-11H2,1H3

InChIKey

InChIKey=LILJDLJORCAIDG-UHFFFAOYSA-N

SMILES

S(OCCOC1=CC=C(N=C=S)C=C1)(=O)(=O)C2=CC=C(C)C=C2

Canonical SMILES

O=S(=O)(OCCOC1=CC=C(N=C=S)C=C1)C2=CC=C(C=C2)C

Other Names for this Substance

  • Ethanol, 2-(4-isothiocyanatophenoxy)-, 1-(4-methylbenzenesulfonate)
  • Ethanol, 2-(4-isothiocyanatophenoxy)-, 4-methylbenzenesulfonate (ester)
  • 2-(4-Isothiocyanatophenoxy)ethyl 4-methylbenzenesulfonate

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