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

Systemtic Name: phenylsulfanyl 4-(4-butylphenyl)cyclohexane-1-carboxylate pentafluoride Openeye Name: phenylsulfanyl 4-(4-butylphenyl)cyclohexanecarboxylate pentafluoride CAS Name: 4-(4-butylphenyl)-1-cyclohexanecarboxylic acid (phenylthio) ester pentafluoride IUPAC Name: phenylsulfanyl 4-(4-butylphenyl)cyclohexane-1-carboxylate pentafluoride Traditional Name: 4-(4-butylphenyl)cyclohexanecarboxylic acid (phenylthio) ester pentafluoride Formula: C23H28F5O2S-5 MolecularWeight: 463.524236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OSC3=CC=CC=C3.[F-].[F-].[F-].[F-].[F-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OSC3=CC=CC=C3.[F-].[F-].[F-].[F-].[F-]

InChI

InChI=1S/C23H28O2S.5FH/c1-2-3-7-18-10-12-19(13-11-18)20-14-16-21(17-15-20)23(24)25-26-22-8-5-4-6-9-22;;;;;/h4-6,8-13,20-21H,2-3,7,14-17H2,1H3;5*1H/p-5