sodium 1,5-bis(6-methylheptoxy)-1,4-bis(oxidanylidene)pentane-2-sulfonate

Systemtic Name: sodium 1,5-bis(6-methylheptoxy)-1,4-bis(oxidanylidene)pentane-2-sulfonate Openeye Name: sodium 1,5-bis(6-methylheptoxy)-1,4-dioxo-pentane-2-sulfonate CAS Name: sodium 1,5-bis(6-methylheptoxy)-1,4-dioxo-2-pentanesulfonate IUPAC Name: sodium 1,5-bis(6-methylheptoxy)-1,4-dioxopentane-2-sulfonate Traditional Name: sodium 1,4-diketo-1,5-bis(6-methylheptoxy)pentane-2-sulfonate Formula: C21H39NaO7S MolecularWeight: 458.58493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOCC(=O)CC(C(=O)OCCCCCC(C)C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CCCCCOCC(=O)CC(C(=O)OCCCCCC(C)C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H40O7S.Na/c1-17(2)11-7-5-9-13-27-16-19(22)15-20(29(24,25)26)21(23)28-14-10-6-8-12-18(3)4;/h17-18,20H,5-16H2,1-4H3,(H,24,25,26);/q;+1/p-1