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

Systemtic Name: cyclopenta-1,3-diene; titanium; 1,6,6-triphenylhexa-1,5-dienylbenzene Openeye Name: cyclopenta-1,3-diene; titanium; 1,6,6-triphenylhexa-1,5-dienylbenzene CAS Name: cyclopenta-1,3-diene; titanium; 1,6,6-triphenylhexa-1,5-dienylbenzene IUPAC Name: cyclopenta-1,3-diene; titanium; 1,6,6-triphenylhexa-1,5-dienylbenzene Traditional Name: cyclopenta-1,3-diene; titanium; 1,6,6-triphenylhexa-1,5-dienylbenzene Formula: C40H34Ti-4 MolecularWeight: 562.56496

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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-]=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Ti]

Isomeric SMILES

[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=CC=C(C=C1)C(=[C-]CC[C-]=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Ti]

InChI

InChI=1S/C30H24.2C5H5.Ti/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;2*1-2-4-5-3-1;/h1-12,15-22H,13-14H2;2*1-5H;/q-2;2*-1;