sodium 4-methoxy-2-methyl-1,4-bis(oxidanylidene)-1-pentoxy-butane-2-sulfonic acid

Systemtic Name: sodium 4-methoxy-2-methyl-1,4-bis(oxidanylidene)-1-pentoxy-butane-2-sulfonic acid Openeye Name: sodium 4-methoxy-2-methyl-1,4-dioxo-1-pentoxy-butane-2-sulfonic acid CAS Name: sodium 4-methoxy-2-methyl-1,4-dioxo-1-pentoxy-2-butanesulfonic acid IUPAC Name: sodium 4-methoxy-2-methyl-1,4-dioxo-1-pentoxybutane-2-sulfonic acid Traditional Name: sodium 1-amoxy-1,4-diketo-4-methoxy-2-methyl-butane-2-sulfonic acid Formula: C11H20NaO7S+ MolecularWeight: 319.32707

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(C)(CC(=O)OC)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCOC(=O)C(C)(CC(=O)OC)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C11H20O7S.Na/c1-4-5-6-7-18-10(13)11(2,19(14,15)16)8-9(12)17-3;/h4-8H2,1-3H3,(H,14,15,16);/q;+1