4,4-bis(fluoranyl)cyclopentane-1,2-dicarboxylate; butane; diethylaminosulfanium; trifluoride

Systemtic Name: 4,4-bis(fluoranyl)cyclopentane-1,2-dicarboxylate; butane; diethylaminosulfanium; trifluoride Openeye Name: butane; diethylaminosulfonium; 4,4-difluorocyclopentane-1,2-dicarboxylate; trifluoride CAS Name: butane; diethylaminosulfonium; 4,4-difluorocyclopentane-1,2-dicarboxylate; trifluoride IUPAC Name: butane; diethylaminosulfanium; 4,4-difluorocyclopentane-1,2-dicarboxylate; trifluoride Traditional Name: diethylaminosulfonium; 4,4-difluorocyclopentane-1,2-dicarboxylate; n-butane; trifluoride Formula: C15H28F5NO4S-4 MolecularWeight: 413.444136

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.CCN(CC)[SH2+].C1C(C(CC1(F)F)C(=O)[O-])C(=O)[O-].[F-].[F-].[F-]

Isomeric SMILES

CCCC.CCN(CC)[SH2+].C1C(C(CC1(F)F)C(=O)[O-])C(=O)[O-].[F-].[F-].[F-]

InChI

InChI=1S/C7H8F2O4.C4H11NS.C4H10.3FH/c8-7(9)1-3(5(10)11)4(2-7)6(12)13;1-3-5(6)4-2;1-3-4-2;;;/h3-4H,1-2H2,(H,10,11)(H,12,13);6H,3-4H2,1-2H3;3-4H2,1-2H3;3*1H/p-4