cyclopenta-1,3-diene; 6-phenylhexa-1,5-dienylbenzene; titanium

Systemtic Name: cyclopenta-1,3-diene; 6-phenylhexa-1,5-dienylbenzene; titanium Openeye Name: cyclopenta-1,3-diene; 6-phenylhexa-1,5-dienylbenzene; titanium CAS Name: cyclopenta-1,3-diene; 6-phenylhexa-1,5-dienylbenzene; titanium IUPAC Name: cyclopenta-1,3-diene; 6-phenylhexa-1,5-dienylbenzene; titanium Traditional Name: cyclopenta-1,3-diene; 6-phenylhexa-1,5-dienylbenzene; titanium Formula: C28H26Ti-4 MolecularWeight: 410.37304

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=CC=C(C=C1)C=[C-]CC[C-]=CC2=CC=CC=C2.[Ti]

Isomeric SMILES

[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=CC=C(C=C1)C=[C-]CC[C-]=CC2=CC=CC=C2.[Ti]

InChI

InChI=1S/C18H16.2C5H5.Ti/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18;2*1-2-4-5-3-1;/h3-4,7-16H,1-2H2;2*1-5H;/q-2;2*-1;