3-(4-oxidanidyl-2-phenyl-phenanthren-3-yl)-2-phenyl-phenanthren-4-olate; titanium(4+)

Systemtic Name: 3-(4-oxidanidyl-2-phenyl-phenanthren-3-yl)-2-phenyl-phenanthren-4-olate; titanium(4+) Openeye Name: 3-(4-oxido-2-phenyl-3-phenanthryl)-2-phenyl-phenanthren-4-olate; titanium(4+) CAS Name: 3-(4-oxido-2-phenyl-3-phenanthrenyl)-2-phenyl-4-phenanthrenolate; titanium(4+) IUPAC Name: 3-(4-oxido-2-phenylphenanthren-3-yl)-2-phenylphenanthren-4-olate; titanium(4+) Traditional Name: 3-(4-oxido-2-phenyl-3-phenanthryl)-2-phenyl-phenanthren-4-olate; titanium(4+) Formula: C80H48O4Ti MolecularWeight: 1121.10172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C3C(=C2)C=CC4=CC=CC=C43)[O-])C5=C(C=C6C=CC7=CC=CC=C7C6=C5[O-])C8=CC=CC=C8.C1=CC=C(C=C1)C2=C(C(=C3C(=C2)C=CC4=CC=CC=C43)[O-])C5=C(C=C6C=CC7=CC=CC=C7C6=C5[O-])C8=CC=CC=C8.[Ti+4]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C3C(=C2)C=CC4=CC=CC=C43)[O-])C5=C(C=C6C=CC7=CC=CC=C7C6=C5[O-])C8=CC=CC=C8.C1=CC=C(C=C1)C2=C(C(=C3C(=C2)C=CC4=CC=CC=C43)[O-])C5=C(C=C6C=CC7=CC=CC=C7C6=C5[O-])C8=CC=CC=C8.[Ti+4]

InChI

InChI=1S/2C40H26O2.Ti/c2*41-39-35-29(21-19-27-15-7-9-17-31(27)35)23-33(25-11-3-1-4-12-25)37(39)38-34(26-13-5-2-6-14-26)24-30-22-20-28-16-8-10-18-32(28)36(30)40(38)42;/h2*1-24,41-42H;/q;;+4/p-4