sodium [2-[(4-acetyloxyphenyl)-phenyl-methyl]pyridin-4-yl] sulfate

Systemtic Name: sodium [2-[(4-acetyloxyphenyl)-phenyl-methyl]pyridin-4-yl] sulfate Openeye Name: sodium [2-[(4-acetoxyphenyl)-phenyl-methyl]-4-pyridyl] sulfate CAS Name: sodium [2-[(4-acetyloxyphenyl)-phenylmethyl]-4-pyridinyl] sulfate IUPAC Name: sodium [2-[(4-acetyloxyphenyl)-phenylmethyl]pyridin-4-yl] sulfate Traditional Name: sodium [2-[(4-acetoxyphenyl)-phenyl-methyl]-4-pyridyl] sulfate Formula: C20H16NNaO6S MolecularWeight: 421.39891

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NC=CC(=C3)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NC=CC(=C3)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H17NO6S.Na/c1-14(22)26-17-9-7-16(8-10-17)20(15-5-3-2-4-6-15)19-13-18(11-12-21-19)27-28(23,24)25;/h2-13,20H,1H3,(H,23,24,25);/q;+1/p-1