(2-chlorophenyl)sulfanyl 4-octoxybenzoate pentafluoride

Systemtic Name: (2-chlorophenyl)sulfanyl 4-octoxybenzoate pentafluoride Openeye Name: (2-chlorophenyl)sulfanyl 4-octoxybenzoate pentafluoride CAS Name: 4-octoxybenzoic acid [(2-chlorophenyl)thio] ester pentafluoride IUPAC Name: (2-chlorophenyl)sulfanyl 4-octoxybenzoate pentafluoride Traditional Name: 4-octoxybenzoic acid [(2-chlorophenyl)thio] ester pentafluoride Formula: C21H25ClF5O3S-5 MolecularWeight: 487.931416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OSC2=CC=CC=C2Cl.[F-].[F-].[F-].[F-].[F-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OSC2=CC=CC=C2Cl.[F-].[F-].[F-].[F-].[F-]

InChI

InChI=1S/C21H25ClO3S.5FH/c1-2-3-4-5-6-9-16-24-18-14-12-17(13-15-18)21(23)25-26-20-11-8-7-10-19(20)22;;;;;/h7-8,10-15H,2-6,9,16H2,1H3;5*1H/p-5