sodium diethoxy-(2-octylphenyl)methanesulfonate

Systemtic Name: sodium diethoxy-(2-octylphenyl)methanesulfonate Openeye Name: sodium diethoxy-(2-octylphenyl)methanesulfonate CAS Name: sodium diethoxy-(2-octylphenyl)methanesulfonate IUPAC Name: sodium diethoxy-(2-octylphenyl)methanesulfonate Traditional Name: sodium diethoxy-(2-octylphenyl)methanesulfonate Formula: C19H31NaO5S MolecularWeight: 394.50121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1C(OCC)(OCC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1C(OCC)(OCC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H32O5S.Na/c1-4-7-8-9-10-11-14-17-15-12-13-16-18(17)19(23-5-2,24-6-3)25(20,21)22;/h12-13,15-16H,4-11,14H2,1-3H3,(H,20,21,22);/q;+1/p-1