sodium 4-dodecoxy-3-ethoxy-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: sodium 4-dodecoxy-3-ethoxy-4-oxidanylidene-3-sulfo-butanoate Openeye Name: sodium 4-dodecoxy-3-ethoxy-4-oxo-3-sulfo-butanoate CAS Name: sodium 4-dodecoxy-3-ethoxy-4-oxo-3-sulfobutanoate IUPAC Name: sodium 4-dodecoxy-3-ethoxy-4-oxo-3-sulfobutanoate Traditional Name: sodium 3-ethoxy-4-keto-4-lauryloxy-3-sulfo-butyrate Formula: C18H33NaO8S MolecularWeight: 432.50459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H34O8S.Na/c1-3-5-6-7-8-9-10-11-12-13-14-25-17(21)18(26-4-2,15-16(19)20)27(22,23)24;/h3-15H2,1-2H3,(H,19,20)(H,22,23,24);/q;+1/p-1