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3-azanyl-4-[4,4-bis(fluoranyl)-1-adamantyl]butane-1-sulfonic acid

3-azanyl-4-[4,4-bis(fluoranyl)-1-adamantyl]butane-1-sulfonic acid

Systemtic Name:3-azanyl-4-[4,4-bis(fluoranyl)-1-adamantyl]butane-1-sulfonic acid
Openeye Name:3-amino-4-(4,4-difluoro-1-adamantyl)butane-1-sulfonic acid
CAS Name:3-amino-4-(4,4-difluoro-1-adamantyl)-1-butanesulfonic acid
IUPAC Name:3-amino-4-(4,4-difluoro-1-adamantyl)butane-1-sulfonic acid
Traditional Name:3-amino-4-(4,4-difluoro-1-adamantyl)butane-1-sulfonic acid
Formula: C14H23F2NO3S
MolecularWeight: 323.399126
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3(F)F)CC(CCS(=O)(=O)O)N


Isomeric SMILES

C1C2CC3CC(C2)(CC1C3(F)F)CC(CCS(=O)(=O)O)N


InChI

InChI=1S/C14H23F2NO3S/c15-14(16)10-3-9-4-11(14)7-13(5-9,6-10)8-12(17)1-2-21(18,19)20/h9-12H,1-8,17H2,(H,18,19,20)


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