Arotinoid

CAS Registry Number®

71441-09-3

CAS Name

Arotinoid

Molecular Formula

C26H32O2

Molecular Mass

376.53

Cite this Page

Arotinoid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71441-09-3 (retrieved 2024-12-22) (CAS RN: 71441-09-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    95.5-97 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H32O2/c1-7-28-24(27)20-10-8-19(9-11-20)16-18(2)21-12-13-22-23(17-21)26(5,6)15-14-25(22,3)4/h8-13,16-17H,7,14-15H2,1-6H3/b18-16+

InChIKey

InChIKey=NULUAKSYPPSJCO-FBMGVBCBSA-N

SMILES

CC1(C)C=2C(C(C)(C)CC1)=CC=C(\C(=C\C3=CC=C(C(OCC)=O)C=C3)\C)C2

Canonical SMILES

O=C(OCC)C1=CC=C(C=C1)C=C(C2=CC=C3C(=C2)C(C)(C)CCC3(C)C)C

Other Names for this Substance

  • Benzoic acid, 4-[(1E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propen-1-yl]-, ethyl ester
  • Benzoic acid, 4-[2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl]-, ethyl ester, (E)-
  • Benzoic acid, 4-[(1E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl]-, ethyl ester
  • Ro 13-6298
  • Arotinoid

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Deleted or Replaced CAS Registry Numbers

95828-38-9

CAS INSIGHTSTM
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