2,9-dibutyl-1,10-phenanthroline-5-sulfonic acid

Systemtic Name: 2,9-dibutyl-1,10-phenanthroline-5-sulfonic acid Openeye Name: 2,9-dibutyl-1,10-phenanthroline-5-sulfonic acid CAS Name: 2,9-dibutyl-1,10-phenanthroline-5-sulfonic acid IUPAC Name: 2,9-dibutyl-1,10-phenanthroline-5-sulfonic acid Traditional Name: 2,9-dibutyl-1,10-phenanthroline-5-sulfonic acid Formula: C20H24N2O3S MolecularWeight: 372.48116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C3C(=C(C=C2C=C1)S(=O)(=O)O)C=CC(=N3)CCCC

Isomeric SMILES

CCCCC1=NC2=C3C(=C(C=C2C=C1)S(=O)(=O)O)C=CC(=N3)CCCC

InChI

InChI=1S/C20H24N2O3S/c1-3-5-7-15-10-9-14-13-18(26(23,24)25)17-12-11-16(8-6-4-2)22-20(17)19(14)21-15/h9-13H,3-8H2,1-2H3,(H,23,24,25)