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

Systemtic Name: [1-(4-hexylphenoxy)-3-prop-2-enoxy-propan-2-yl]oxymethyl hydrogen sulfate Openeye Name: [1-(allyloxymethyl)-2-(4-hexylphenoxy)ethoxy]methyl hydrogen sulfate CAS Name: sulfuric acid [1-(4-hexylphenoxy)-3-prop-2-enoxypropan-2-yl]oxymethyl ester IUPAC Name: [1-(4-hexylphenoxy)-3-prop-2-enoxypropan-2-yl]oxymethyl hydrogen sulfate Traditional Name: sulfuric acid [1-(allyloxymethyl)-2-(4-hexylphenoxy)ethoxy]methyl ester Formula: C19H30O7S MolecularWeight: 402.5023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OCC(COCC=C)OCOS(=O)(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OCC(COCC=C)OCOS(=O)(=O)O

InChI

InChI=1S/C19H30O7S/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)