cyclopenta-1,3-diene; 1-phenylpenta-1,4-dien-2-ylbenzene; titanium

Systemtic Name: cyclopenta-1,3-diene; 1-phenylpenta-1,4-dien-2-ylbenzene; titanium Openeye Name: cyclopenta-1,3-diene; 1-(phenylmethylene)but-3-enylbenzene; titanium CAS Name: cyclopenta-1,3-diene; 1-phenylpenta-1,4-dien-2-ylbenzene; titanium IUPAC Name: cyclopenta-1,3-diene; 1-phenylpenta-1,4-dien-2-ylbenzene; titanium Traditional Name: cyclopenta-1,3-diene; 1-(phenylmethylene)but-3-enylbenzene; titanium Formula: C27H24Ti-4 MolecularWeight: 396.34646

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Descriptors Computed from Structure

Canonical SMILES:

C=[C-]CC(=[C-]C1=CC=CC=C1)C2=CC=CC=C2.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Ti]

Isomeric SMILES

C=[C-]CC(=[C-]C1=CC=CC=C1)C2=CC=CC=C2.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Ti]

InChI

InChI=1S/C17H14.2C5H5.Ti/c1-2-9-17(16-12-7-4-8-13-16)14-15-10-5-3-6-11-15;2*1-2-4-5-3-1;/h3-8,10-13H,1,9H2;2*1-5H;/q-2;2*-1;