calcium 1,4-didodecoxy-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: calcium 1,4-didodecoxy-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: calcium 1,4-didodecoxy-1,4-dioxo-butane-2-sulfonate CAS Name: calcium 1,4-didodecoxy-1,4-dioxo-2-butanesulfonate IUPAC Name: calcium 1,4-didodecoxy-1,4-dioxobutane-2-sulfonate Traditional Name: calcium 1,4-diketo-1,4-dilauryloxy-butane-2-sulfonate Formula: C56H106CaO14S2 MolecularWeight: 1107.64044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCC)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCC)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C28H54O7S.Ca/c2*1-3-5-7-9-11-13-15-17-19-21-23-34-27(29)25-26(36(31,32)33)28(30)35-24-22-20-18-16-14-12-10-8-6-4-2;/h2*26H,3-25H2,1-2H3,(H,31,32,33);/q;;+2/p-2