4-[4-(6-phenylpyridin-3-yl)phenyl]-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-[4-(6-phenylpyridin-3-yl)phenyl]-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-[4-(6-phenyl-3-pyridyl)phenyl]-1-phosphono-butane-1-sulfonic acid CAS Name: 4-[4-(6-phenyl-3-pyridinyl)phenyl]-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-[4-(6-phenylpyridin-3-yl)phenyl]-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-[4-(6-phenyl-3-pyridyl)phenyl]-1-phosphono-butane-1-sulfonic acid Formula: C21H22NO6PS MolecularWeight: 447.441241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=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)8-4-5-16-9-11-17(12-10-16)19-13-14-20(22-15-19)18-6-2-1-3-7-18/h1-3,6-7,9-15,21H,4-5,8H2,(H2,23,24,25)(H,26,27,28)