methyl [1-(4-octylphenoxy)-3-prop-2-enoxy-propan-2-yl]oxymethyl sulfate

Systemtic Name: methyl [1-(4-octylphenoxy)-3-prop-2-enoxy-propan-2-yl]oxymethyl sulfate Openeye Name: [1-(allyloxymethyl)-2-(4-octylphenoxy)ethoxy]methyl methyl sulfate CAS Name: sulfuric acid methyl [1-(4-octylphenoxy)-3-prop-2-enoxypropan-2-yl]oxymethyl ester IUPAC Name: methyl [1-(4-octylphenoxy)-3-prop-2-enoxypropan-2-yl]oxymethyl sulfate Traditional Name: sulfuric acid [1-(allyloxymethyl)-2-(4-octylphenoxy)ethoxy]methyl methyl ester Formula: C22H36O7S MolecularWeight: 444.58204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCC(COCC=C)OCOS(=O)(=O)OC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(COCC=C)OCOS(=O)(=O)OC

InChI

InChI=1S/C22H36O7S/c1-4-6-7-8-9-10-11-20-12-14-21(15-13-20)27-18-22(17-26-16-5-2)28-19-29-30(23,24)25-3/h5,12-15,22H,2,4,6-11,16-19H2,1,3H3