phenylsulfanyl 4-octylbenzoate pentafluoride

Systemtic Name: phenylsulfanyl 4-octylbenzoate pentafluoride Openeye Name: phenylsulfanyl 4-octylbenzoate pentafluoride CAS Name: 4-octylbenzoic acid (phenylthio) ester pentafluoride IUPAC Name: phenylsulfanyl 4-octylbenzoate pentafluoride Traditional Name: 4-octylbenzoic acid (phenylthio) ester pentafluoride Formula: C21H26F5O2S-5 MolecularWeight: 437.486956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)OSC2=CC=CC=C2.[F-].[F-].[F-].[F-].[F-]

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)OSC2=CC=CC=C2.[F-].[F-].[F-].[F-].[F-]

InChI

InChI=1S/C21H26O2S.5FH/c1-2-3-4-5-6-8-11-18-14-16-19(17-15-18)21(22)23-24-20-12-9-7-10-13-20;;;;;/h7,9-10,12-17H,2-6,8,11H2,1H3;5*1H/p-5