cyclopenta-1,3-diene; ethane; methanidylbenzene; titanium(4+)

Systemtic Name: cyclopenta-1,3-diene; ethane; methanidylbenzene; titanium(4+) Openeye Name: cyclopenta-1,3-diene; ethane; methanidylbenzene; titanium(4+) CAS Name: cyclopenta-1,3-diene; ethane; methanidylbenzene; titanium(4+) IUPAC Name: cyclopenta-1,3-diene; ethane; methanidylbenzene; titanium(4+) Traditional Name: cyclopenta-1,3-diene; ethane; methanidylbenzene; titanium(4+) Formula: C38H44Ti2 MolecularWeight: 596.48996

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Descriptors Computed from Structure

Canonical SMILES:

C[CH2-].C[CH2-].[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4].[Ti+4]

Isomeric SMILES

C[CH2-].C[CH2-].[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4].[Ti+4]

InChI

InChI=1S/2C7H7.4C5H5.2C2H5.2Ti/c2*1-7-5-3-2-4-6-7;4*1-2-4-5-3-1;2*1-2;;/h2*2-6H,1H2;4*1-3H,4H2;2*1H2,2H3;;/q8*-1;2*+4