disodium 4-[(E)-octadec-1-enoxy]-4-oxidanylidene-2-sulfonato-butanoate

Systemtic Name: disodium 4-[(E)-octadec-1-enoxy]-4-oxidanylidene-2-sulfonato-butanoate Openeye Name: disodium 4-[(E)-octadec-1-enoxy]-4-oxo-2-sulfonato-butanoate CAS Name: disodium 4-[(E)-octadec-1-enoxy]-4-oxo-2-sulfonatobutanoate IUPAC Name: disodium 4-[(E)-octadec-1-enoxy]-4-oxo-2-sulfonatobutanoate Traditional Name: disodium 4-keto-4-[(E)-octadec-1-enoxy]-2-sulfonato-butyrate Formula: C22H38Na2O7S MolecularWeight: 492.57746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=COC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/OC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C22H40O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-21(23)19-20(22(24)25)30(26,27)28;;/h17-18,20H,2-16,19H2,1H3,(H,24,25)(H,26,27,28);;/q;2*+1/p-2/b18-17+;;