sodium 1,4-di(nonoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: sodium 1,4-di(nonoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 1,4-di(nonoxy)-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 1,4-di(nonoxy)-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 1,4-di(nonoxy)-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 1,4-diketo-1,4-di(nonoxy)butane-2-sulfonate Formula: C22H41NaO7S MolecularWeight: 472.61151

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C22H42O7S.Na/c1-3-5-7-9-11-13-15-17-28-21(23)19-20(30(25,26)27)22(24)29-18-16-14-12-10-8-6-4-2;/h20H,3-19H2,1-2H3,(H,25,26,27);/q;+1/p-1