sodium 4-dodecyl-1,1-diethoxy-2-oxidanyl-3,5-bis(oxidanylidene)hexadecane-1-sulfonate

Systemtic Name: sodium 4-dodecyl-1,1-diethoxy-2-oxidanyl-3,5-bis(oxidanylidene)hexadecane-1-sulfonate Openeye Name: sodium 4-dodecyl-1,1-diethoxy-2-hydroxy-3,5-dioxo-hexadecane-1-sulfonate CAS Name: sodium 4-dodecyl-1,1-diethoxy-2-hydroxy-3,5-dioxo-1-hexadecanesulfonate IUPAC Name: sodium 4-dodecyl-1,1-diethoxy-2-hydroxy-3,5-dioxohexadecane-1-sulfonate Traditional Name: sodium 1,1-diethoxy-2-hydroxy-3,5-diketo-4-lauryl-hexadecane-1-sulfonate Formula: C32H61NaO8S MolecularWeight: 628.87671

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)CCCCCCCCCCC)C(=O)C(C(OCC)(OCC)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)CCCCCCCCCCC)C(=O)C(C(OCC)(OCC)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C32H62O8S.Na/c1-5-9-11-13-15-17-19-20-22-24-26-28(29(33)27-25-23-21-18-16-14-12-10-6-2)30(34)31(35)32(39-7-3,40-8-4)41(36,37)38;/h28,31,35H,5-27H2,1-4H3,(H,36,37,38);/q;+1/p-1