13-cis-4-Oxoretinoic acid

CAS Registry Number®

71748-58-8
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CAS Name

13-cis-4-Oxoretinoic acid

Molecular Formula

C20H26O3

Molecular Mass

314.42

Cite this Page

13-cis-4-Oxoretinoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71748-58-8 (retrieved 2024-04-27) (CAS RN: 71748-58-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    134-136 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13-

InChIKey

InChIKey=GGCUJPCCTQNTJF-FAOQNJJDSA-N

SMILES

C(=C/C(=C/C=C/C(=C\C(O)=O)/C)/C)\C=1C(C)(C)CCC(=O)C1C

Canonical SMILES

O=C(O)C=C(C=CC=C(C=CC1=C(C(=O)CCC1(C)C)C)C)C

Other Names for this Substance

  • Retinoic acid, 4-oxo-, 13-cis-
  • 13-cis-4-Oxoretinoic acid
  • 4-Oxoisotretinoin
  • Ro 22-6595

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