1-diethoxyphosphoryl-4-[4-(4-pyridin-2-ylphenyl)phenyl]butane-1-sulfonic acid

Systemtic Name: 1-diethoxyphosphoryl-4-[4-(4-pyridin-2-ylphenyl)phenyl]butane-1-sulfonic acid Openeye Name: 1-diethoxyphosphoryl-4-[4-[4-(2-pyridyl)phenyl]phenyl]butane-1-sulfonic acid CAS Name: 1-diethoxyphosphoryl-4-[4-[4-(2-pyridinyl)phenyl]phenyl]-1-butanesulfonic acid IUPAC Name: 1-diethoxyphosphoryl-4-[4-(4-pyridin-2-ylphenyl)phenyl]butane-1-sulfonic acid Traditional Name: 1-diethoxyphosphoryl-4-[4-[4-(2-pyridyl)phenyl]phenyl]butane-1-sulfonic acid Formula: C25H30NO6PS MolecularWeight: 503.547561

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=N3)S(=O)(=O)O)OCC

Isomeric SMILES

CCOP(=O)(C(CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=N3)S(=O)(=O)O)OCC

InChI

InChI=1S/C25H30NO6PS/c1-3-31-33(27,32-4-2)25(34(28,29)30)10-7-8-20-11-13-21(14-12-20)22-15-17-23(18-16-22)24-9-5-6-19-26-24/h5-6,9,11-19,25H,3-4,7-8,10H2,1-2H3,(H,28,29,30)