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1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide; titanium; tetrahydrate
1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide; titanium; tetrahydrate
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC2=CC=[C-]C(=C2C=C1)C3=C4C=CC=CC4=CC=[C-]3.C1=CC2=CC=[C-]C(=C2C=C1)C3=C4C=CC=CC4=CC=[C-]3.O.O.O.O.[Ti]
Isomeric SMILES
C1=CC2=CC=[C-]C(=C2C=C1)C3=C4C=CC=CC4=CC=[C-]3.C1=CC2=CC=[C-]C(=C2C=C1)C3=C4C=CC=CC4=CC=[C-]3.O.O.O.O.[Ti]
InChI
InChI=1S/2C20H12.4H2O.Ti/c2*1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;;;;;/h2*1-12H;4*1H2;/q2*-2;;;;;
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