disodium 1,4-dioctoxy-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: disodium 1,4-dioctoxy-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: disodium 1,4-dioctoxy-1,4-dioxo-butane-2-sulfonate CAS Name: disodium 1,4-dioctoxy-1,4-dioxo-2-butanesulfonate IUPAC Name: disodium 1,4-dioctoxy-1,4-dioxobutane-2-sulfonate Traditional Name: disodium 1,4-diketo-1,4-dioctoxy-butane-2-sulfonate Formula: C40H74Na2O14S2 MolecularWeight: 889.1167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C20H38O7S.2Na/c2*1-3-5-7-9-11-13-15-26-19(21)17-18(28(23,24)25)20(22)27-16-14-12-10-8-6-4-2;;/h2*18H,3-17H2,1-2H3,(H,23,24,25);;/q;;2*+1/p-2