sodium 1-iodanyloxy-1-oxidanylidene-3-pentoxycarbonyl-tridecane-3-sulfonic acid

Systemtic Name: sodium 1-iodanyloxy-1-oxidanylidene-3-pentoxycarbonyl-tridecane-3-sulfonic acid Openeye Name: sodium 1-iodooxy-1-oxo-3-pentoxycarbonyl-tridecane-3-sulfonic acid CAS Name: sodium 1-iodooxy-1-oxo-3-[oxo(pentoxy)methyl]-3-tridecanesulfonic acid IUPAC Name: sodium 1-iodooxy-1-oxo-3-pentoxycarbonyltridecane-3-sulfonic acid Traditional Name: sodium 3-amoxycarbonyl-1-iodooxy-1-keto-tridecane-3-sulfonic acid Formula: C19H35INaO7S+ MolecularWeight: 557.43624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CC(=O)OI)(C(=O)OCCCCC)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCC(CC(=O)OI)(C(=O)OCCCCC)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C19H35IO7S.Na/c1-3-5-7-8-9-10-11-12-14-19(28(23,24)25,16-17(21)27-20)18(22)26-15-13-6-4-2;/h3-16H2,1-2H3,(H,23,24,25);/q;+1