phenylsulfanyl 4-octoxybenzoate pentafluoride

Systemtic Name: phenylsulfanyl 4-octoxybenzoate pentafluoride Openeye Name: phenylsulfanyl 4-octoxybenzoate pentafluoride CAS Name: 4-octoxybenzoic acid (phenylthio) ester pentafluoride IUPAC Name: phenylsulfanyl 4-octoxybenzoate pentafluoride Traditional Name: 4-octoxybenzoic acid (phenylthio) ester pentafluoride Formula: C21H26F5O3S-5 MolecularWeight: 453.486356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OSC2=CC=CC=C2.[F-].[F-].[F-].[F-].[F-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OSC2=CC=CC=C2.[F-].[F-].[F-].[F-].[F-]

InChI

InChI=1S/C21H26O3S.5FH/c1-2-3-4-5-6-10-17-23-19-15-13-18(14-16-19)21(22)24-25-20-11-8-7-9-12-20;;;;;/h7-9,11-16H,2-6,10,17H2,1H3;5*1H/p-5