5-(2,6-dipyridin-2-ylpyridin-4-yl)-2-octoxy-benzenesulfonic acid

Systemtic Name: 5-(2,6-dipyridin-2-ylpyridin-4-yl)-2-octoxy-benzenesulfonic acid Openeye Name: 5-[2,6-bis(2-pyridyl)-4-pyridyl]-2-octoxy-benzenesulfonic acid CAS Name: 5-[2,6-bis(2-pyridinyl)-4-pyridinyl]-2-octoxybenzenesulfonic acid IUPAC Name: 5-(2,6-dipyridin-2-ylpyridin-4-yl)-2-octoxybenzenesulfonic acid Traditional Name: 5-[2,6-bis(2-pyridyl)-4-pyridyl]-2-octoxy-besylic acid Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=CC(=NC(=C2)C3=CC=CC=N3)C4=CC=CC=N4)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=CC(=NC(=C2)C3=CC=CC=N3)C4=CC=CC=N4)S(=O)(=O)O

InChI

InChI=1S/C29H31N3O4S/c1-2-3-4-5-6-11-18-36-28-15-14-22(21-29(28)37(33,34)35)23-19-26(24-12-7-9-16-30-24)32-27(20-23)25-13-8-10-17-31-25/h7-10,12-17,19-21H,2-6,11,18H2,1H3,(H,33,34,35)