4-dodecoxy-2,3-diethoxy-4-oxidanylidene-3-sulfo-butanoic acid

Systemtic Name: 4-dodecoxy-2,3-diethoxy-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 4-dodecoxy-2,3-diethoxy-4-oxo-3-sulfo-butanoic acid CAS Name: 4-dodecoxy-2,3-diethoxy-4-oxo-3-sulfobutanoic acid IUPAC Name: 4-dodecoxy-2,3-diethoxy-4-oxo-3-sulfobutanoic acid Traditional Name: 2,3-diethoxy-4-keto-4-lauryloxy-3-sulfo-butyric acid Formula: C20H38O9S MolecularWeight: 454.57532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(C(C(=O)O)OCC)(OCC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C(C(C(=O)O)OCC)(OCC)S(=O)(=O)O

InChI

InChI=1S/C20H38O9S/c1-4-7-8-9-10-11-12-13-14-15-16-28-19(23)20(29-6-3,30(24,25)26)17(18(21)22)27-5-2/h17H,4-16H2,1-3H3,(H,21,22)(H,24,25,26)