[4,5-bis(oxidanyl)-1-oxidanylidene-3,6-disulfooxy-hexan-2-yl]sulfamic acid

Systemtic Name: [4,5-bis(oxidanyl)-1-oxidanylidene-3,6-disulfooxy-hexan-2-yl]sulfamic acid Openeye Name: (1-formyl-3,4-dihydroxy-2,5-disulfooxy-pentyl)sulfamic acid CAS Name: (4,5-dihydroxy-1-oxo-3,6-disulfooxyhexan-2-yl)sulfamic acid IUPAC Name: (4,5-dihydroxy-1-oxo-3,6-disulfooxyhexan-2-yl)sulfamic acid Traditional Name: (1-formyl-3,4-dihydroxy-2,5-disulfoxy-pentyl)sulfamic acid Formula: C6H13NO14S3 MolecularWeight: 419.36072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(C(C=O)NS(=O)(=O)O)OS(=O)(=O)O)O)O)OS(=O)(=O)O

Isomeric SMILES

C(C(C(C(C(C=O)NS(=O)(=O)O)OS(=O)(=O)O)O)O)OS(=O)(=O)O

InChI

InChI=1S/C6H13NO14S3/c8-1-3(7-22(11,12)13)6(21-24(17,18)19)5(10)4(9)2-20-23(14,15)16/h1,3-7,9-10H,2H2,(H,11,12,13)(H,14,15,16)(H,17,18,19)