sodium 1,1-diethoxy-2-phenoxy-decane-1-sulfonate

Systemtic Name: sodium 1,1-diethoxy-2-phenoxy-decane-1-sulfonate Openeye Name: sodium 1,1-diethoxy-2-phenoxy-decane-1-sulfonate CAS Name: sodium 1,1-diethoxy-2-phenoxy-1-decanesulfonate IUPAC Name: sodium 1,1-diethoxy-2-phenoxydecane-1-sulfonate Traditional Name: sodium 1,1-diethoxy-2-phenoxy-decane-1-sulfonate Formula: C20H33NaO6S MolecularWeight: 424.52719

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(OCC)(OCC)S(=O)(=O)[O-])OC1=CC=CC=C1.[Na+]

Isomeric SMILES

CCCCCCCCC(C(OCC)(OCC)S(=O)(=O)[O-])OC1=CC=CC=C1.[Na+]

InChI

InChI=1S/C20H34O6S.Na/c1-4-7-8-9-10-14-17-19(26-18-15-12-11-13-16-18)20(24-5-2,25-6-3)27(21,22)23;/h11-13,15-16,19H,4-10,14,17H2,1-3H3,(H,21,22,23);/q;+1/p-1