sodium (1,1-diethoxy-2-phenoxy-ethyl) octyl sulfate

Systemtic Name: sodium (1,1-diethoxy-2-phenoxy-ethyl) octyl sulfate Openeye Name: sodium (1,1-diethoxy-2-phenoxy-ethyl) octyl sulfate CAS Name: sodium sulfuric acid (1,1-diethoxy-2-phenoxyethyl) octyl ester IUPAC Name: sodium (1,1-diethoxy-2-phenoxyethyl) octyl sulfate Traditional Name: sodium sulfuric acid (1,1-diethoxy-2-phenoxy-ethyl) octyl ester Formula: C20H34NaO7S+ MolecularWeight: 441.53453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOS(=O)(=O)OC(COC1=CC=CC=C1)(OCC)OCC.[Na+]

Isomeric SMILES

CCCCCCCCOS(=O)(=O)OC(COC1=CC=CC=C1)(OCC)OCC.[Na+]

InChI

InChI=1S/C20H34O7S.Na/c1-4-7-8-9-10-14-17-26-28(21,22)27-20(24-5-2,25-6-3)18-23-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;/q;+1