Pelretin

CAS Registry Number®

91587-01-8
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CAS Name

Pelretin

Molecular Formula

C23H28O2

Molecular Mass

336.47

Cite this Page

Pelretin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=91587-01-8 (retrieved 2024-04-19) (CAS RN: 91587-01-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H28O2/c1-17(10-15-21-18(2)8-6-16-23(21,3)4)7-5-9-19-11-13-20(14-12-19)22(24)25/h5,7,9-15H,6,8,16H2,1-4H3,(H,24,25)/b9-5+,15-10+,17-7+

InChIKey

InChIKey=YRNAHKPMDMVFMV-GMICYETFSA-N

SMILES

C(=C/C(=C/C=C/C1=CC=C(C(O)=O)C=C1)/C)\C=2C(C)(C)CCCC2C

Canonical SMILES

O=C(O)C1=CC=C(C=CC=C(C=CC2=C(C)CCCC2(C)C)C)C=C1

Other Names for this Substance

  • Benzoic acid, 4-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3,5-hexatrien-1-yl]-
  • Benzoic acid, 4-[4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3,5-hexatrienyl]-, (E,E,E)-
  • Benzoic acid, 4-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3,5-hexatrienyl]-
  • 4-[(1E,3E,5E)-4-Methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3,5-hexatrien-1-yl]benzoic acid
  • Pelretin

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