tert-butylcyclopentane; cyclopentane; methanidylbenzene; titanium(4+)

Systemtic Name: tert-butylcyclopentane; cyclopentane; methanidylbenzene; titanium(4+) Openeye Name: tert-butylcyclopentane; cyclopentane; methanidylbenzene; titanium(4+) CAS Name: tert-butylcyclopentane; cyclopentane; methanidylbenzene; titanium(4+) IUPAC Name: tert-butylcyclopentane; cyclopentane; methanidylbenzene; titanium(4+) Traditional Name: tert-butylcyclopentane; cyclopentane; methanidylbenzene; titanium(4+) Formula: C28H32Ti+2 MolecularWeight: 416.42068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[C]1[CH][CH][CH][CH]1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH]1[CH][CH][CH][CH]1.[Ti+4]

Isomeric SMILES

CC(C)(C)[C]1[CH][CH][CH][CH]1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH]1[CH][CH][CH][CH]1.[Ti+4]

InChI

InChI=1S/C9H13.2C7H7.C5H5.Ti/c1-9(2,3)8-6-4-5-7-8;2*1-7-5-3-2-4-6-7;1-2-4-5-3-1;/h4-7H,1-3H3;2*2-6H,1H2;1-5H;/q;2*-1;;+4