disodium 4-octadec-9-enoxy-4-oxidanylidene-3-sulfonato-butanoate

Systemtic Name: disodium 4-octadec-9-enoxy-4-oxidanylidene-3-sulfonato-butanoate Openeye Name: disodium 4-octadec-9-enoxy-4-oxo-3-sulfonato-butanoate CAS Name: disodium 4-octadec-9-enoxy-4-oxo-3-sulfonatobutanoate IUPAC Name: disodium 4-octadec-9-enoxy-4-oxo-3-sulfonatobutanoate Traditional Name: disodium 4-keto-4-octadec-9-enoxy-3-sulfonato-butyrate Formula: C22H38Na2O7S MolecularWeight: 492.57746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCC=CCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C22H40O7S.2Na/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;;/h9-10,20H,2-8,11-19H2,1H3,(H,23,24)(H,26,27,28);;/q;2*+1/p-2