sodium 4-methoxy-1-octa-1,3,5,7-tetraynoxy-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: sodium 4-methoxy-1-octa-1,3,5,7-tetraynoxy-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 4-methoxy-1-octa-1,3,5,7-tetraynoxy-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 4-methoxy-1-octa-1,3,5,7-tetraynoxy-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 4-methoxy-1-octa-1,3,5,7-tetraynoxy-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 1,4-diketo-4-methoxy-1-octa-1,3,5,7-tetraynoxy-butane-2-sulfonate Formula: C13H7NaO7S MolecularWeight: 330.24525

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)OC#CC#CC#CC#C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC(=O)CC(C(=O)OC#CC#CC#CC#C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H8O7S.Na/c1-3-4-5-6-7-8-9-20-13(15)11(21(16,17)18)10-12(14)19-2;/h1,11H,10H2,2H3,(H,16,17,18);/q;+1/p-1