4-octadecan-9-yloxy-4-oxidanylidene-3-sulfo-butanoic acid

Systemtic Name: 4-octadecan-9-yloxy-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 4-(1-octyldecoxy)-4-oxo-3-sulfo-butanoic acid CAS Name: 4-octadecan-9-yloxy-4-oxo-3-sulfobutanoic acid IUPAC Name: 4-octadecan-9-yloxy-4-oxo-3-sulfobutanoic acid Traditional Name: 4-keto-4-(1-octyldecoxy)-3-sulfo-butyric acid Formula: C22H42O7S MolecularWeight: 450.62968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)OC(=O)C(CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)OC(=O)C(CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H42O7S/c1-3-5-7-9-11-13-15-17-19(16-14-12-10-8-6-4-2)29-22(25)20(18-21(23)24)30(26,27)28/h19-20H,3-18H2,1-2H3,(H,23,24)(H,26,27,28)