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

Systemtic Name: 1-phosphono-4-[4-(4-pyridin-2-ylphenyl)phenyl]butane-1-sulfonic acid Openeye Name: 1-phosphono-4-[4-[4-(2-pyridyl)phenyl]phenyl]butane-1-sulfonic acid CAS Name: 1-phosphono-4-[4-[4-(2-pyridinyl)phenyl]phenyl]-1-butanesulfonic acid IUPAC Name: 1-phosphono-4-[4-(4-pyridin-2-ylphenyl)phenyl]butane-1-sulfonic acid Traditional Name: 1-phosphono-4-[4-[4-(2-pyridyl)phenyl]phenyl]butane-1-sulfonic acid Formula: C21H22NO6PS MolecularWeight: 447.441241

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C21H22NO6PS/c23-29(24,25)21(30(26,27)28)6-3-4-16-7-9-17(10-8-16)18-11-13-19(14-12-18)20-5-1-2-15-22-20/h1-2,5,7-15,21H,3-4,6H2,(H2,23,24,25)(H,26,27,28)