3-(2-adamantylamino)-2,2-bis(fluoranyl)propane-1-sulfonic acid

Systemtic Name: 3-(2-adamantylamino)-2,2-bis(fluoranyl)propane-1-sulfonic acid Openeye Name: 3-(2-adamantylamino)-2,2-difluoro-propane-1-sulfonic acid CAS Name: 3-(2-adamantylamino)-2,2-difluoro-1-propanesulfonic acid IUPAC Name: 3-(2-adamantylamino)-2,2-difluoropropane-1-sulfonic acid Traditional Name: 3-(2-adamantylamino)-2,2-difluoro-propane-1-sulfonic acid Formula: C13H21F2NO3S MolecularWeight: 309.372546

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NCC(CS(=O)(=O)O)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NCC(CS(=O)(=O)O)(F)F

InChI

InChI=1S/C13H21F2NO3S/c14-13(15,7-20(17,18)19)6-16-12-10-2-8-1-9(4-10)5-11(12)3-8/h8-12,16H,1-7H2,(H,17,18,19)