phenylsulfanyl 4-(4-propylcyclohexyl)benzoate pentafluoride

Systemtic Name: phenylsulfanyl 4-(4-propylcyclohexyl)benzoate pentafluoride Openeye Name: phenylsulfanyl 4-(4-propylcyclohexyl)benzoate pentafluoride CAS Name: 4-(4-propylcyclohexyl)benzoic acid (phenylthio) ester pentafluoride IUPAC Name: phenylsulfanyl 4-(4-propylcyclohexyl)benzoate pentafluoride Traditional Name: 4-(4-propylcyclohexyl)benzoic acid (phenylthio) ester pentafluoride Formula: C22H26F5O2S-5 MolecularWeight: 449.497656

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OSC3=CC=CC=C3.[F-].[F-].[F-].[F-].[F-]

Isomeric SMILES

CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OSC3=CC=CC=C3.[F-].[F-].[F-].[F-].[F-]

InChI

InChI=1S/C22H26O2S.5FH/c1-2-6-17-9-11-18(12-10-17)19-13-15-20(16-14-19)22(23)24-25-21-7-4-3-5-8-21;;;;;/h3-5,7-8,13-18H,2,6,9-12H2,1H3;5*1H/p-5