sodium oxidanyl [2,3,5-trimethyl-6-(pyridin-3-ylmethyl)phenyl] sulfate

Systemtic Name: sodium oxidanyl [2,3,5-trimethyl-6-(pyridin-3-ylmethyl)phenyl] sulfate Openeye Name: sodium hydroxy [2,3,5-trimethyl-6-(3-pyridylmethyl)phenyl] sulfate CAS Name: sodium sulfuric acid hydroxy [2,3,5-trimethyl-6-(3-pyridinylmethyl)phenyl] ester IUPAC Name: sodium hydroxy [2,3,5-trimethyl-6-(pyridin-3-ylmethyl)phenyl] sulfate Traditional Name: sodium sulfuric acid hydroxy [2,3,5-trimethyl-6-(3-pyridylmethyl)phenyl] ester Formula: C15H17NNaO5S+ MolecularWeight: 346.35395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)OS(=O)(=O)OO)CC2=CN=CC=C2)C.[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1C)OS(=O)(=O)OO)CC2=CN=CC=C2)C.[Na+]

InChI

InChI=1S/C15H17NO5S.Na/c1-10-7-11(2)14(8-13-5-4-6-16-9-13)15(12(10)3)20-22(18,19)21-17;/h4-7,9,17H,8H2,1-3H3;/q;+1