2-(4-phenylphenyl)pyridine; 1-phosphonobutane-1-sulfonic acid

Systemtic Name: 2-(4-phenylphenyl)pyridine; 1-phosphonobutane-1-sulfonic acid Openeye Name: 2-(4-phenylphenyl)pyridine; 1-phosphonobutane-1-sulfonic acid CAS Name: 2-(4-phenylphenyl)pyridine; 1-phosphono-1-butanesulfonic acid IUPAC Name: 2-(4-phenylphenyl)pyridine; 1-phosphonobutane-1-sulfonic acid Traditional Name: 2-(4-phenylphenyl)pyridine; 1-phosphonobutane-1-sulfonic acid Formula: C21H24NO6PS MolecularWeight: 449.457121

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(P(=O)(O)O)S(=O)(=O)O.C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=N3

Isomeric SMILES

CCCC(P(=O)(O)O)S(=O)(=O)O.C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=N3

InChI

InChI=1S/C17H13N.C4H11O6PS/c1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-2-3-4(11(5,6)7)12(8,9)10/h1-13H;4H,2-3H2,1H3,(H2,5,6,7)(H,8,9,10)