methyl 2-(4-pyridin-3-ylphenyl)ethyl sulfate

Systemtic Name: methyl 2-(4-pyridin-3-ylphenyl)ethyl sulfate Openeye Name: methyl 2-[4-(3-pyridyl)phenyl]ethyl sulfate CAS Name: sulfuric acid methyl 2-[4-(3-pyridinyl)phenyl]ethyl ester IUPAC Name: methyl 2-(4-pyridin-3-ylphenyl)ethyl sulfate Traditional Name: sulfuric acid methyl 2-[4-(3-pyridyl)phenyl]ethyl ester Formula: C14H15NO4S MolecularWeight: 293.3382

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)OCCC1=CC=C(C=C1)C2=CN=CC=C2

Isomeric SMILES

COS(=O)(=O)OCCC1=CC=C(C=C1)C2=CN=CC=C2

InChI

InChI=1S/C14H15NO4S/c1-18-20(16,17)19-10-8-12-4-6-13(7-5-12)14-3-2-9-15-11-14/h2-7,9,11H,8,10H2,1H3