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

Systemtic Name: (1,16-disulfonatooxy-1,2,3,4,5,6-hexazacyclooctadec-2-yl) sulfate Openeye Name: (1,16-disulfonatooxy-1,2,3,4,5,6-hexazacyclooctadec-2-yl) sulfate CAS Name: (1,16-disulfonatooxy-1,2,3,4,5,6-hexazacyclooctadec-2-yl) sulfate IUPAC Name: (1,16-disulfonatooxy-1,2,3,4,5,6-hexazacyclooctadec-2-yl) sulfate Traditional Name: (1,16-disulfato-1,2,3,4,5,6-hexazacyclooctadec-2-yl) sulfate Formula: C12H27N6O12S3-3 MolecularWeight: 543.57078

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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)/p-3