sodium [1-(4-hexylphenoxy)-3-prop-2-enoxy-propan-2-yl]oxymethyl sulfate

Systemtic Name: sodium [1-(4-hexylphenoxy)-3-prop-2-enoxy-propan-2-yl]oxymethyl sulfate Openeye Name: sodium [1-(allyloxymethyl)-2-(4-hexylphenoxy)ethoxy]methyl sulfate CAS Name: sodium [1-(4-hexylphenoxy)-3-prop-2-enoxypropan-2-yl]oxymethyl sulfate IUPAC Name: sodium [1-(4-hexylphenoxy)-3-prop-2-enoxypropan-2-yl]oxymethyl sulfate Traditional Name: sodium [1-(allyloxymethyl)-2-(4-hexylphenoxy)ethoxy]methyl sulfate Formula: C19H29NaO7S MolecularWeight: 424.48413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OCC(COCC=C)OCOS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OCC(COCC=C)OCOS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H30O7S.Na/c1-3-5-6-7-8-17-9-11-18(12-10-17)24-15-19(14-23-13-4-2)25-16-26-27(20,21)22;/h4,9-12,19H,2-3,5-8,13-16H2,1H3,(H,20,21,22);/q;+1/p-1