[4-[pyridin-2-yl-(4-sulfooxyphenyl)methyl]phenyl] hydrogen sulfate

Systemtic Name: [4-[pyridin-2-yl-(4-sulfooxyphenyl)methyl]phenyl] hydrogen sulfate Openeye Name: [4-[2-pyridyl-(4-sulfooxyphenyl)methyl]phenyl] hydrogen sulfate CAS Name: sulfuric acid [4-[2-pyridinyl-(4-sulfooxyphenyl)methyl]phenyl] ester IUPAC Name: [4-[pyridin-2-yl-(4-sulfooxyphenyl)methyl]phenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-[2-pyridyl-(4-sulfoxyphenyl)methyl]phenyl] ester Formula: C18H15NO8S2 MolecularWeight: 437.4436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(C2=CC=C(C=C2)OS(=O)(=O)O)C3=CC=C(C=C3)OS(=O)(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C(C2=CC=C(C=C2)OS(=O)(=O)O)C3=CC=C(C=C3)OS(=O)(=O)O

InChI

InChI=1S/C18H15NO8S2/c20-28(21,22)26-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)27-29(23,24)25/h1-12,18H,(H,20,21,22)(H,23,24,25)