4-CYANOPHENYL TRANS-4-(4-HEPTYLCYCLOHEXYL)BENZOATE

CAS No.
81930-18-9
CCD No.
CCD00781833
Formula
C27 H33 N O2
MolWeight
403.563

Basic Information

Product Name: 4-CYANOPHENYL TRANS-4-(4-HEPTYLCYCLOHEXYL)BENZOATE
CAS: 81930-18-9
English Synonyms: 4-CYANOPHENYL TRANS-4-(4-HEPTYLCYCLOHEXYL)BENZOATE
MDL Number.: MFCD09751085
H bond acceptor: 3
H bond donor: 0
Smile: CCCCCCC[C@@H]1CC[C@H](CC1)c2ccc(cc2)C(=O)Oc3ccc(cc3)C#N
InChi: InChI=1S/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-AFARHQOCSA-N

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