sodium 5,10-diethyl-5,10-bis(oxidanyl)-6,9-bis(oxidanylidene)tetradecane-7-sulfonate

Systemtic Name: sodium 5,10-diethyl-5,10-bis(oxidanyl)-6,9-bis(oxidanylidene)tetradecane-7-sulfonate Openeye Name: sodium 5,10-diethyl-5,10-dihydroxy-6,9-dioxo-tetradecane-7-sulfonate CAS Name: sodium 5,10-diethyl-5,10-dihydroxy-6,9-dioxo-7-tetradecanesulfonate IUPAC Name: sodium 5,10-diethyl-5,10-dihydroxy-6,9-dioxotetradecane-7-sulfonate Traditional Name: sodium 5,10-diethyl-5,10-dihydroxy-6,9-diketo-tetradecane-7-sulfonate Formula: C18H33NaO7S MolecularWeight: 416.50519

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(C(=O)CC(C(=O)C(CC)(CCCC)O)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CCCCC(CC)(C(=O)CC(C(=O)C(CC)(CCCC)O)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C18H34O7S.Na/c1-5-9-11-17(21,7-3)15(19)13-14(26(23,24)25)16(20)18(22,8-4)12-10-6-2;/h14,21-22H,5-13H2,1-4H3,(H,23,24,25);/q;+1/p-1