4-octadecoxy-4-oxidanylidene-3-sulfo-butanoic acid

Systemtic Name: 4-octadecoxy-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 4-octadecoxy-4-oxo-3-sulfo-butanoic acid CAS Name: 4-octadecoxy-4-oxo-3-sulfobutanoic acid IUPAC Name: 4-octadecoxy-4-oxo-3-sulfobutanoic acid Traditional Name: 4-keto-4-stearyloxy-3-sulfo-butyric acid Formula: C22H42O7S MolecularWeight: 450.62968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H42O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-22(25)20(19-21(23)24)30(26,27)28/h20H,2-19H2,1H3,(H,23,24)(H,26,27,28)