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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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