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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H34O7S.Na/c1-4-7-8-9-10-11-13-16(12-5-2)26-18(20)15-17(27(22,23)24)19(21)25-14-6-3;/h6,16-17H,3-5,7-15H2,1-2H3,(H,22,23,24);/q;+1/p-1