sodium 1-decoxy-2-iodanyl-1,4-bis(oxidanylidene)-4-pentoxy-butane-2-sulfonic acid

Systemtic Name: sodium 1-decoxy-2-iodanyl-1,4-bis(oxidanylidene)-4-pentoxy-butane-2-sulfonic acid Openeye Name: sodium 1-decoxy-2-iodo-1,4-dioxo-4-pentoxy-butane-2-sulfonic acid CAS Name: sodium 1-decoxy-2-iodo-1,4-dioxo-4-pentoxy-2-butanesulfonic acid IUPAC Name: sodium 1-decoxy-2-iodo-1,4-dioxo-4-pentoxybutane-2-sulfonic acid Traditional Name: sodium 4-amoxy-1-decoxy-2-iodo-1,4-diketo-butane-2-sulfonic acid Formula: C19H35INaO7S+ MolecularWeight: 557.43624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C(CC(=O)OCCCCC)(S(=O)(=O)O)I.[Na+]

Isomeric SMILES

CCCCCCCCCCOC(=O)C(CC(=O)OCCCCC)(S(=O)(=O)O)I.[Na+]

InChI

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