cyclopentane; 2-phenylquinoline-4-carboxylic acid; titanium(2+)

Systemtic Name: cyclopentane; 2-phenylquinoline-4-carboxylic acid; titanium(2+) Openeye Name: cyclopentane; 2-phenylquinoline-4-carboxylic acid; titanium(2+) CAS Name: cyclopentane; 2-phenyl-4-quinolinecarboxylic acid; titanium(2+) IUPAC Name: cyclopentane; 2-phenylquinoline-4-carboxylic acid; titanium(2+) Traditional Name: cyclopentane; 2-phenylcinchoninic acid; titanium(2+) Formula: C42H32N2O4Ti+2 MolecularWeight: 676.58148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+2]

InChI

InChI=1S/2C16H11NO2.2C5H5.Ti/c2*18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;2*1-2-4-5-3-1;/h2*1-10H,(H,18,19);2*1-5H;/q;;;;+2