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

Systemtic Name: 4-dodecoxy-2,2,3-triethoxy-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 4-dodecoxy-2,2,3-triethoxy-4-oxo-3-sulfo-butanoic acid CAS Name: 4-dodecoxy-2,2,3-triethoxy-4-oxo-3-sulfobutanoic acid IUPAC Name: 4-dodecoxy-2,2,3-triethoxy-4-oxo-3-sulfobutanoic acid Traditional Name: 2,2,3-triethoxy-4-keto-4-lauryloxy-3-sulfo-butyric acid Formula: C22H42O10S MolecularWeight: 498.62788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42O10S/c1-5-9-10-11-12-13-14-15-16-17-18-29-20(25)22(32-8-4,33(26,27)28)21(19(23)24,30-6-2)31-7-3/h5-18H2,1-4H3,(H,23,24)(H,26,27,28)