Benzoic acid, 4-(4-heptylcyclohexyl)-, 4-cyanophenyl ester, trans-

CAS Registry Number®

81930-18-9

CAS Name

Benzoic acid, 4-(4-heptylcyclohexyl)-, 4-cyanophenyl ester, trans-

Molecular Formula

C27H33NO2

Molecular Mass

403.56

Cite this Page

Benzoic acid, 4-(4-heptylcyclohexyl)-, 4-cyanophenyl ester, trans-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81930-18-9 (retrieved 2024-11-22) (CAS RN: 81930-18-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C27H33NO2/c1-2-3-4-5-6-7-21-8-12-23(13-9-21)24-14-16-25(17-15-24)27(29)30-26-18-10-22(20-28)11-19-26/h10-11,14-19,21,23H,2-9,12-13H2,1H3/t21-,23-

InChIKey

InChIKey=GPXWKSACSYMTQN-AFARHQOCNA-N

SMILES

C(OC1=CC=C(C#N)C=C1)(=O)C2=CC=C(C=C2)[C@H]3CC[C@H](CCCCCCC)CC3

Canonical SMILES

N#CC1=CC=C(OC(=O)C2=CC=C(C=C2)C3CCC(CCCCCCC)CC3)C=C1

Other Names for this Substance

  • Benzoic acid, 4-(4-heptylcyclohexyl)-, 4-cyanophenyl ester, trans-

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