sodium 3-prop-2-enoxycarbonyl-3-sulfo-pentadecanoate

Systemtic Name: sodium 3-prop-2-enoxycarbonyl-3-sulfo-pentadecanoate Openeye Name: sodium 3-allyloxycarbonyl-3-sulfo-pentadecanoate CAS Name: sodium 3-[oxo(prop-2-enoxy)methyl]-3-sulfopentadecanoate IUPAC Name: sodium 3-prop-2-enoxycarbonyl-3-sulfopentadecanoate Traditional Name: sodium 3-allyloxycarbonyl-3-sulfo-pentadecanoate Formula: C19H33NaO7S MolecularWeight: 428.51589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H34O7S.Na/c1-3-5-6-7-8-9-10-11-12-13-14-19(16-17(20)21,27(23,24)25)18(22)26-15-4-2;/h4H,2-3,5-16H2,1H3,(H,20,21)(H,23,24,25);/q;+1/p-1