4,7-bis(2-isothiocyanatophenyl)-1,10-phenanthroline-2,9-dicarboxylic acid

Systemtic Name: 4,7-bis(2-isothiocyanatophenyl)-1,10-phenanthroline-2,9-dicarboxylic acid Openeye Name: 4,7-bis(2-isothiocyanatophenyl)-1,10-phenanthroline-2,9-dicarboxylic acid CAS Name: 4,7-bis(2-isothiocyanatophenyl)-1,10-phenanthroline-2,9-dicarboxylic acid IUPAC Name: 4,7-bis(2-isothiocyanatophenyl)-1,10-phenanthroline-2,9-dicarboxylic acid Traditional Name: 4,7-bis(2-isothiocyanatophenyl)-1,10-phenanthroline-2,9-dicarboxylic acid Formula: C28H14N4O4S2 MolecularWeight: 534.56516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC(=NC3=C2C=CC4=C3N=C(C=C4C5=CC=CC=C5N=C=S)C(=O)O)C(=O)O)N=C=S

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC(=NC3=C2C=CC4=C3N=C(C=C4C5=CC=CC=C5N=C=S)C(=O)O)C(=O)O)N=C=S

InChI

InChI=1S/C28H14N4O4S2/c33-27(34)23-11-19(15-5-1-3-7-21(15)29-13-37)17-9-10-18-20(16-6-2-4-8-22(16)30-14-38)12-24(28(35)36)32-26(18)25(17)31-23/h1-12H,(H,33,34)(H,35,36)