Secodione

CAS Registry Number®

899-79-6
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CAS Name

Secodione

Molecular Formula

C19H22O3

Molecular Mass

298.38

Cite this Page

Secodione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=899-79-6 (retrieved 2024-09-08) (CAS RN: 899-79-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    77-79 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H22O3/c1-19(17(20)8-9-18(19)21)11-10-13-4-3-5-14-12-15(22-2)6-7-16(13)14/h6-7,10,12H,3-5,8-9,11H2,1-2H3

InChIKey

InChIKey=PHYRXYUDHILFBN-UHFFFAOYSA-N

SMILES

C(CC1(C)C(=O)CCC1=O)=C2C=3C(=CC(OC)=CC3)CCC2

Canonical SMILES

O=C1CCC(=O)C1(C)CC=C2C3=CC=C(OC)C=C3CCC2

Other Names for this Substance

  • 1,3-Cyclopentanedione, 2-[2-(3,4-dihydro-6-methoxy-1(2H)-naphthalenylidene)ethyl]-2-methyl-
  • 8,14-Secoestra-1,3,5(10),9(11)-tetraene-14,17-dione, 3-methoxy-
  • 2-[2-(3,4-Dihydro-6-methoxy-1(2H)-naphthalenylidene)ethyl]-2-methyl-1,3-cyclopentanedione
  • 3-Methoxy-8,14-secoestra-1,3,5(10),9(11)-tetraene-14,17-dione
  • 3-Methoxy-8,14-secoestra-1,3,5(10),9-tetraene-14,19-dione

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Deleted or Replaced CAS Registry Numbers

77521-87-0