Sofalcone

CAS Registry Number®

64506-49-6

CAS Name

Sofalcone

Molecular Formula

C27H30O6

Molecular Mass

450.52

Cite this Page

Sofalcone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64506-49-6 (retrieved 2024-11-23) (CAS RN: 64506-49-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    143-144 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C27H30O6/c1-19(2)13-15-31-22-8-5-21(6-9-22)7-12-25(28)24-11-10-23(32-16-14-20(3)4)17-26(24)33-18-27(29)30/h5-14,17H,15-16,18H2,1-4H3,(H,29,30)

InChIKey

InChIKey=GFWRVVCDTLRWPK-UHFFFAOYSA-N

SMILES

O(CC(O)=O)C1=C(C(C=CC2=CC=C(OCC=C(C)C)C=C2)=O)C=CC(OCC=C(C)C)=C1

Canonical SMILES

O=C(O)COC1=CC(OCC=C(C)C)=CC=C1C(=O)C=CC2=CC=C(OCC=C(C)C)C=C2

Other Names for this Substance

  • Acetic acid, 2-[5-[(3-methyl-2-buten-1-yl)oxy]-2-[3-[4-[(3-methyl-2-buten-1-yl)oxy]phenyl]-1-oxo-2-propen-1-yl]phenoxy]-
  • Acetic acid, [5-[(3-methyl-2-butenyl)oxy]-2-[3-[4-[(3-methyl-2-butenyl)oxy]phenyl]-1-oxo-2-propenyl]phenoxy]-
  • 2-[5-[(3-Methyl-2-buten-1-yl)oxy]-2-[3-[4-[(3-methyl-2-buten-1-yl)oxy]phenyl]-1-oxo-2-propen-1-yl]phenoxy]acetic acid
  • SU 88
  • Sofalcone

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