(1,16-disulfooxy-1,2,3,4,5,6-hexazacyclooctadec-2-yl) hydrogen sulfate

Systemtic Name: (1,16-disulfooxy-1,2,3,4,5,6-hexazacyclooctadec-2-yl) hydrogen sulfate Openeye Name: (1,16-disulfooxy-1,2,3,4,5,6-hexazacyclooctadec-2-yl) hydrogen sulfate CAS Name: sulfuric acid (1,16-disulfooxy-1,2,3,4,5,6-hexazacyclooctadec-2-yl) ester IUPAC Name: (1,16-disulfooxy-1,2,3,4,5,6-hexazacyclooctadec-2-yl) hydrogen sulfate Traditional Name: sulfuric acid (1,16-disulfoxy-1,2,3,4,5,6-hexazacyclooctadec-2-yl) ester Formula: C12H30N6O12S3 MolecularWeight: 546.5946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCC(CCN(N(NNNNCCCC1)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

C1CCCCC(CCN(N(NNNNCCCC1)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C12H30N6O12S3/c19-31(20,21)28-12-8-6-4-2-1-3-5-7-10-13-14-15-16-18(30-33(25,26)27)17(11-9-12)29-32(22,23)24/h12-16H,1-11H2,(H,19,20,21)(H,22,23,24)(H,25,26,27)