sodium; 1,4-dioctoxy-1,4-bis(oxidanylidene)butane-2-sulfonate; phosphoric acid

Systemtic Name: sodium; 1,4-dioctoxy-1,4-bis(oxidanylidene)butane-2-sulfonate; phosphoric acid Openeye Name: sodium; 1,4-dioctoxy-1,4-dioxo-butane-2-sulfonate; phosphoric acid CAS Name: sodium; 1,4-dioctoxy-1,4-dioxo-2-butanesulfonate; phosphoric acid IUPAC Name: sodium; 1,4-dioctoxy-1,4-dioxobutane-2-sulfonate; phosphoric acid Traditional Name: sodium; 1,4-diketo-1,4-dioctoxy-butane-2-sulfonate; phosphoric acid Formula: C20H40NaO11PS MolecularWeight: 542.553531

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)[O-].OP(=O)(O)O.[Na+]

Isomeric SMILES

CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)[O-].OP(=O)(O)O.[Na+]

InChI

InChI=1S/C20H38O7S.Na.H3O4P/c1-3-5-7-9-11-13-15-26-19(21)17-18(28(23,24)25)20(22)27-16-14-12-10-8-6-4-2;;1-5(2,3)4/h18H,3-17H2,1-2H3,(H,23,24,25);;(H3,1,2,3,4)/q;+1;/p-1