sodium 1,4-bis(oxidanylidene)-1-prop-2-enoxy-4-tridecan-4-yloxy-butane-2-sulfonate

Systemtic Name: sodium 1,4-bis(oxidanylidene)-1-prop-2-enoxy-4-tridecan-4-yloxy-butane-2-sulfonate Openeye Name: sodium 1-allyloxy-1,4-dioxo-4-(1-propyldecoxy)butane-2-sulfonate CAS Name: sodium 1,4-dioxo-1-prop-2-enoxy-4-tridecan-4-yloxy-2-butanesulfonate IUPAC Name: sodium 1,4-dioxo-1-prop-2-enoxy-4-tridecan-4-yloxybutane-2-sulfonate Traditional Name: sodium 1-allyloxy-1,4-diketo-4-(1-propyldecoxy)butane-2-sulfonate Formula: C20H35NaO7S MolecularWeight: 442.54247

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCC)OC(=O)CC(C(=O)OCC=C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCC(CCC)OC(=O)CC(C(=O)OCC=C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H36O7S.Na/c1-4-7-8-9-10-11-12-14-17(13-5-2)27-19(21)16-18(28(23,24)25)20(22)26-15-6-3;/h6,17-18H,3-5,7-16H2,1-2H3,(H,23,24,25);/q;+1/p-1