4-[(2S)-2-Methylbutyl]phenyl 4-(octyloxy)benzoate

CAS Registry Number®

69777-61-3

CAS Name

4-[(2S)-2-Methylbutyl]phenyl 4-(octyloxy)benzoate

Molecular Formula

C26H36O3

Molecular Mass

396.56

Cite this Page

4-[(2S)-2-Methylbutyl]phenyl 4-(octyloxy)benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=69777-61-3 (retrieved 2024-11-22) (CAS RN: 69777-61-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H36O3/c1-4-6-7-8-9-10-19-28-24-17-13-23(14-18-24)26(27)29-25-15-11-22(12-16-25)20-21(3)5-2/h11-18,21H,4-10,19-20H2,1-3H3/t21-/m0/s1

InChIKey

InChIKey=XSEXHHROOVDZBQ-NRFANRHFSA-N

SMILES

O(C(=O)C1=CC=C(OCCCCCCCC)C=C1)C2=CC=C(C[C@H](CC)C)C=C2

Canonical SMILES

O=C(OC1=CC=C(C=C1)CC(C)CC)C2=CC=C(OCCCCCCCC)C=C2

Other Names for this Substance

  • Benzoic acid, 4-(octyloxy)-, 4-[(2S)-2-methylbutyl]phenyl ester
  • Benzoic acid, 4-(octyloxy)-, 4-(2-methylbutyl)phenyl ester, (S)-
  • 4-[(2S)-2-Methylbutyl]phenyl 4-(octyloxy)benzoate

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