sodium [2,3,5-trimethyl-4-oxidanyl-6-(pyridin-3-ylmethyl)phenyl] sulfate

Systemtic Name: sodium [2,3,5-trimethyl-4-oxidanyl-6-(pyridin-3-ylmethyl)phenyl] sulfate Openeye Name: sodium [4-hydroxy-2,3,5-trimethyl-6-(3-pyridylmethyl)phenyl] sulfate CAS Name: sodium [4-hydroxy-2,3,5-trimethyl-6-(3-pyridinylmethyl)phenyl] sulfate IUPAC Name: sodium [4-hydroxy-2,3,5-trimethyl-6-(pyridin-3-ylmethyl)phenyl] sulfate Traditional Name: sodium [4-hydroxy-2,3,5-trimethyl-6-(3-pyridylmethyl)phenyl] sulfate Formula: C15H16NNaO5S MolecularWeight: 345.34601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1O)C)CC2=CN=CC=C2)OS(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CC1=C(C(=C(C(=C1O)C)CC2=CN=CC=C2)OS(=O)(=O)[O-])C.[Na+]

InChI

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