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

Systemtic Name: sodium 4-dodecoxy-1,4-bis(oxidanylidene)-1-prop-2-enoxy-butane-2-sulfonate Openeye Name: sodium 1-allyloxy-4-dodecoxy-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 4-dodecoxy-1,4-dioxo-1-prop-2-enoxy-2-butanesulfonate IUPAC Name: sodium 4-dodecoxy-1,4-dioxo-1-prop-2-enoxybutane-2-sulfonate Traditional Name: sodium 1-allyloxy-1,4-diketo-4-lauryloxy-butane-2-sulfonate Formula: C19H33NaO7S MolecularWeight: 428.51589

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC(C(=O)OCC=C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC(C(=O)OCC=C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H34O7S.Na/c1-3-5-6-7-8-9-10-11-12-13-15-25-18(20)16-17(27(22,23)24)19(21)26-14-4-2;/h4,17H,2-3,5-16H2,1H3,(H,22,23,24);/q;+1/p-1