3,8-bis(2-methoxyphenyl)-4,7-phenanthroline-1-carboxylic acid

Systemtic Name: 3,8-bis(2-methoxyphenyl)-4,7-phenanthroline-1-carboxylic acid Openeye Name: 3,8-bis(2-methoxyphenyl)-4,7-phenanthroline-1-carboxylic acid CAS Name: 3,8-bis(2-methoxyphenyl)-4,7-phenanthroline-1-carboxylic acid IUPAC Name: 3,8-bis(2-methoxyphenyl)-4,7-phenanthroline-1-carboxylic acid Traditional Name: 3,8-bis(2-methoxyphenyl)-4,7-phenanthroline-1-carboxylic acid Formula: C27H20N2O4 MolecularWeight: 436.4587

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC3=C(C=C2)C4=C(C=C3)N=C(C=C4C(=O)O)C5=CC=CC=C5OC

Isomeric SMILES

COC1=CC=CC=C1C2=NC3=C(C=C2)C4=C(C=C3)N=C(C=C4C(=O)O)C5=CC=CC=C5OC

InChI

InChI=1S/C27H20N2O4/c1-32-24-9-5-3-7-16(24)20-12-11-18-21(28-20)13-14-22-26(18)19(27(30)31)15-23(29-22)17-8-4-6-10-25(17)33-2/h3-15H,1-2H3,(H,30,31)