Ethyl 3,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonate

CAS Registry Number®

5560-69-0

CAS Name

Ethyl 3,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonate

Molecular Formula

C20H28O3S

Molecular Mass

348.50

Cite this Page

Ethyl 3,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5560-69-0 (retrieved 2024-12-28) (CAS RN: 5560-69-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    138.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C20H28O3S/c1-8-23-24(21,22)18-13-16(20(5,6)7)12-14-11-15(19(2,3)4)9-10-17(14)18/h9-13H,8H2,1-7H3

InChIKey

InChIKey=ZAMACTJOCIFTPJ-UHFFFAOYSA-N

SMILES

S(OCC)(=O)(=O)C=1C2=C(C=C(C(C)(C)C)C1)C=C(C(C)(C)C)C=C2

Canonical SMILES

O=S(=O)(OCC)C1=CC(=CC2=CC(=CC=C21)C(C)(C)C)C(C)(C)C

Other Names for this Substance

  • 1-Naphthalenesulfonic acid, 3,6-bis(1,1-dimethylethyl)-, ethyl ester
  • 1-Naphthalenesulfonic acid, 3,6-di-tert-butyl-, ethyl ester
  • Ethyl 3,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonate
  • NDR 304
  • Ethyl dibunate

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