phenylsulfanyl 4-(4-octylphenyl)cyclohexane-1-carboxylate pentafluoride

Systemtic Name: phenylsulfanyl 4-(4-octylphenyl)cyclohexane-1-carboxylate pentafluoride Openeye Name: phenylsulfanyl 4-(4-octylphenyl)cyclohexanecarboxylate pentafluoride CAS Name: 4-(4-octylphenyl)-1-cyclohexanecarboxylic acid (phenylthio) ester pentafluoride IUPAC Name: phenylsulfanyl 4-(4-octylphenyl)cyclohexane-1-carboxylate pentafluoride Traditional Name: 4-(4-octylphenyl)cyclohexanecarboxylic acid (phenylthio) ester pentafluoride Formula: C27H36F5O2S-5 MolecularWeight: 519.630556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OSC3=CC=CC=C3.[F-].[F-].[F-].[F-].[F-]

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OSC3=CC=CC=C3.[F-].[F-].[F-].[F-].[F-]

InChI

InChI=1S/C27H36O2S.5FH/c1-2-3-4-5-6-8-11-22-14-16-23(17-15-22)24-18-20-25(21-19-24)27(28)29-30-26-12-9-7-10-13-26;;;;;/h7,9-10,12-17,24-25H,2-6,8,11,18-21H2,1H3;5*1H/p-5