4-octadecoxy-4-oxidanylidene-2-sulfo-butanoic acid

Systemtic Name: 4-octadecoxy-4-oxidanylidene-2-sulfo-butanoic acid Openeye Name: 4-octadecoxy-4-oxo-2-sulfo-butanoic acid CAS Name: 4-octadecoxy-4-oxo-2-sulfobutanoic acid IUPAC Name: 4-octadecoxy-4-oxo-2-sulfobutanoic acid Traditional Name: 4-keto-4-stearyloxy-2-sulfo-butyric acid Formula: C22H42O7S MolecularWeight: 450.62968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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