4-Propylphenyl 4-(trans-4-pentylcyclohexyl)benzoate

85005-66-9

CAS Name

4-Propylphenyl 4-(trans-4-pentylcyclohexyl)benzoate

Molecular Formula

C₂₇H₃₆O₂

Molecular Mass

392.57

Compound Properties

• Melting Point (1)

  69 °C

Source(s)

• (1) Bhowmick, Kanishka; Molecular Crystals and Liquid Crystals, (2004), 409, 437-447, CAplus

Other Names and Identifiers

InChI

InChI=1/C27H36O2/c1-3-5-6-8-22-9-13-23(14-10-22)24-15-17-25(18-16-24)27(28)29-26-19-11-21(7-4-2)12-20-26/h11-12,15-20,22-23H,3-10,13-14H2,1-2H3/t22-,23-

InChIKey

InChIKey=VDXLRVQMTSSZRM-YHBQERECNA-N

SMILES

C(OC1=CC=C(CCC)C=C1)(=O)C2=CC=C(C=C2)[C@H]3CC[C@H](CCCCC)CC3

Canonical SMILES

O=C(OC1=CC=C(C=C1)CCC)C2=CC=C(C=C2)C3CCC(CCCCC)CC3

Other Names for this Substance