sodium 4-octoxy-2-octoxysulfonyl-4-oxidanylidene-butanoate

Systemtic Name: sodium 4-octoxy-2-octoxysulfonyl-4-oxidanylidene-butanoate Openeye Name: sodium 4-octoxy-2-octoxysulfonyl-4-oxo-butanoate CAS Name: sodium 4-octoxy-2-octoxysulfonyl-4-oxobutanoate IUPAC Name: sodium 4-octoxy-2-octoxysulfonyl-4-oxobutanoate Traditional Name: sodium 4-keto-4-octoxy-2-octoxysulfonyl-butyrate Formula: C20H37NaO7S MolecularWeight: 444.55835

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CC(C(=O)[O-])S(=O)(=O)OCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCOC(=O)CC(C(=O)[O-])S(=O)(=O)OCCCCCCCC.[Na+]

InChI

InChI=1S/C20H38O7S.Na/c1-3-5-7-9-11-13-15-26-19(21)17-18(20(22)23)28(24,25)27-16-14-12-10-8-6-4-2;/h18H,3-17H2,1-2H3,(H,22,23);/q;+1/p-1