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

Systemtic Name: calcium 1,4-didecoxy-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: calcium 1,4-didecoxy-1,4-dioxo-butane-2-sulfonate CAS Name: calcium 1,4-didecoxy-1,4-dioxo-2-butanesulfonate IUPAC Name: calcium 1,4-didecoxy-1,4-dioxobutane-2-sulfonate Traditional Name: calcium 1,4-didecoxy-1,4-diketo-butane-2-sulfonate Formula: C48H90CaO14S2 MolecularWeight: 995.4278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCC)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCC)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C24H46O7S.Ca/c2*1-3-5-7-9-11-13-15-17-19-30-23(25)21-22(32(27,28)29)24(26)31-20-18-16-14-12-10-8-6-4-2;/h2*22H,3-21H2,1-2H3,(H,27,28,29);/q;;+2/p-2