[1-(4-butylphenoxy)-3-prop-2-enoxy-propan-2-yl]oxymethyl (2-hydroxyethylamino) sulfate

Systemtic Name: [1-(4-butylphenoxy)-3-prop-2-enoxy-propan-2-yl]oxymethyl (2-hydroxyethylamino) sulfate Openeye Name: [1-(allyloxymethyl)-2-(4-butylphenoxy)ethoxy]methyl (2-hydroxyethylamino) sulfate CAS Name: sulfuric acid [1-(4-butylphenoxy)-3-prop-2-enoxypropan-2-yl]oxymethyl (2-hydroxyethylamino) ester IUPAC Name: [1-(4-butylphenoxy)-3-prop-2-enoxypropan-2-yl]oxymethyl (2-hydroxyethylamino) sulfate Traditional Name: sulfuric acid [1-(allyloxymethyl)-2-(4-butylphenoxy)ethoxy]methyl (2-hydroxyethylamino) ester Formula: C19H31NO8S MolecularWeight: 433.51634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OCC(COCC=C)OCOS(=O)(=O)ONCCO

Isomeric SMILES

CCCCC1=CC=C(C=C1)OCC(COCC=C)OCOS(=O)(=O)ONCCO

InChI

InChI=1S/C19H31NO8S/c1-3-5-6-17-7-9-18(10-8-17)25-15-19(14-24-13-4-2)26-16-27-29(22,23)28-20-11-12-21/h4,7-10,19-21H,2-3,5-6,11-16H2,1H3