3-[2,9-dimethyl-7-(3-sulfophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonic acid

Systemtic Name: 3-[2,9-dimethyl-7-(3-sulfophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonic acid Openeye Name: 3-[2,9-dimethyl-7-(3-sulfophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonic acid CAS Name: 3-[2,9-dimethyl-7-(3-sulfophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonic acid IUPAC Name: 3-[2,9-dimethyl-7-(3-sulfophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonic acid Traditional Name: 3-[2,9-dimethyl-7-(3-sulfophenyl)-1,10-phenanthrolin-4-yl]besylic acid Formula: C26H20N2O6S2 MolecularWeight: 520.5768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC3=C2N=C(C=C3C4=CC(=CC=C4)S(=O)(=O)O)C)C(=C1)C5=CC(=CC=C5)S(=O)(=O)O

Isomeric SMILES

CC1=NC2=C(C=CC3=C2N=C(C=C3C4=CC(=CC=C4)S(=O)(=O)O)C)C(=C1)C5=CC(=CC=C5)S(=O)(=O)O

InChI

InChI=1S/C26H20N2O6S2/c1-15-11-23(17-5-3-7-19(13-17)35(29,30)31)21-9-10-22-24(12-16(2)28-26(22)25(21)27-15)18-6-4-8-20(14-18)36(32,33)34/h3-14H,1-2H3,(H,29,30,31)(H,32,33,34)