phenylsulfanyl 4-(4-hexylcyclohexyl)benzoate pentafluoride

Systemtic Name: phenylsulfanyl 4-(4-hexylcyclohexyl)benzoate pentafluoride Openeye Name: phenylsulfanyl 4-(4-hexylcyclohexyl)benzoate pentafluoride CAS Name: 4-(4-hexylcyclohexyl)benzoic acid (phenylthio) ester pentafluoride IUPAC Name: phenylsulfanyl 4-(4-hexylcyclohexyl)benzoate pentafluoride Traditional Name: 4-(4-hexylcyclohexyl)benzoic acid (phenylthio) ester pentafluoride Formula: C25H32F5O2S-5 MolecularWeight: 491.577396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OSC3=CC=CC=C3.[F-].[F-].[F-].[F-].[F-]

Isomeric SMILES

CCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OSC3=CC=CC=C3.[F-].[F-].[F-].[F-].[F-]

InChI

InChI=1S/C25H32O2S.5FH/c1-2-3-4-6-9-20-12-14-21(15-13-20)22-16-18-23(19-17-22)25(26)27-28-24-10-7-5-8-11-24;;;;;/h5,7-8,10-11,16-21H,2-4,6,9,12-15H2,1H3;5*1H/p-5