1-adamantylazanium sulfate

Systemtic Name: 1-adamantylazanium sulfate Openeye Name: 1-adamantylammonium sulfate CAS Name: 1-adamantylammonium sulfate IUPAC Name: 1-adamantylazanium sulfate Traditional Name: 1-adamantylammonium sulfate Formula: C20H36N2O4S MolecularWeight: 400.57584

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH3+].C1C2CC3CC1CC(C2)(C3)[NH3+].[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH3+].C1C2CC3CC1CC(C2)(C3)[NH3+].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C10H17N.H2O4S/c2*11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-5(2,3)4/h2*7-9H,1-6,11H2;(H2,1,2,3,4)