sodium 13-methyl-1-oxidanyl-3-oxidanylidene-tetradecane-2-sulfonate

Systemtic Name: sodium 13-methyl-1-oxidanyl-3-oxidanylidene-tetradecane-2-sulfonate Openeye Name: sodium 1-hydroxy-13-methyl-3-oxo-tetradecane-2-sulfonate CAS Name: sodium 1-hydroxy-13-methyl-3-oxo-2-tetradecanesulfonate IUPAC Name: sodium 1-hydroxy-13-methyl-3-oxotetradecane-2-sulfonate Traditional Name: sodium 1-hydroxy-3-keto-13-methyl-tetradecane-2-sulfonate Formula: C15H29NaO5S MolecularWeight: 344.44253

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCC(=O)C(CO)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CCCCCCCCCC(=O)C(CO)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H30O5S.Na/c1-13(2)10-8-6-4-3-5-7-9-11-14(17)15(12-16)21(18,19)20;/h13,15-16H,3-12H2,1-2H3,(H,18,19,20);/q;+1/p-1