1,4,7,10,13,16-hexazoniacyclooctadecane trisulfate

Systemtic Name: 1,4,7,10,13,16-hexazoniacyclooctadecane trisulfate Openeye Name: 1,4,7,10,13,16-hexazoniacyclooctadecane trisulfate CAS Name: 1,4,7,10,13,16-hexazoniacyclooctadecane trisulfate IUPAC Name: 1,4,7,10,13,16-hexazoniacyclooctadecane trisulfate Traditional Name: 1,4,7,10,13,16-hexazoniacyclooctadecane trisulfate Formula: C12H36N6O12S3 MolecularWeight: 552.64224

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC[NH2+]CC[NH2+]CC[NH2+]CC[NH2+]CC[NH2+]1.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1C[NH2+]CC[NH2+]CC[NH2+]CC[NH2+]CC[NH2+]CC[NH2+]1.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C12H30N6.3H2O4S/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;3*1-5(2,3)4/h13-18H,1-12H2;3*(H2,1,2,3,4)