1-methoxy-4-octoxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: 1-methoxy-4-octoxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: 1-methoxy-4-octoxy-1,4-dioxo-butane-2-sulfonic acid CAS Name: 1-methoxy-4-octoxy-1,4-dioxo-2-butanesulfonic acid IUPAC Name: 1-methoxy-4-octoxy-1,4-dioxobutane-2-sulfonic acid Traditional Name: 1,4-diketo-1-methoxy-4-octoxy-butane-2-sulfonic acid Formula: C13H24O7S MolecularWeight: 324.39046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CC(C(=O)OC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)CC(C(=O)OC)S(=O)(=O)O

InChI

InChI=1S/C13H24O7S/c1-3-4-5-6-7-8-9-20-12(14)10-11(13(15)19-2)21(16,17)18/h11H,3-10H2,1-2H3,(H,16,17,18)