2-butylcyclopenta-1,3-diene; pent-4-en-2-olate; titanium(4+)

Systemtic Name: 2-butylcyclopenta-1,3-diene; pent-4-en-2-olate; titanium(4+) Openeye Name: 2-butylcyclopenta-1,3-diene; pent-4-en-2-olate; titanium(4+) CAS Name: 2-butylcyclopenta-1,3-diene; 4-penten-2-olate; titanium(4+) IUPAC Name: 2-butylcyclopenta-1,3-diene; pent-4-en-2-olate; titanium(4+) Traditional Name: 2-butylcyclopenta-1,3-diene; pent-4-en-2-olate; titanium(4+) Formula: C24H40O3Ti MolecularWeight: 424.4396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.CC(CC=C)[O-].CC(CC=C)[O-].CC(CC=C)[O-].[Ti+4]

Isomeric SMILES

CCCCC1=[C-]CC=C1.CC(CC=C)[O-].CC(CC=C)[O-].CC(CC=C)[O-].[Ti+4]

InChI

InChI=1S/C9H13.3C5H9O.Ti/c1-2-3-6-9-7-4-5-8-9;3*1-3-4-5(2)6;/h4,7H,2-3,5-6H2,1H3;3*3,5H,1,4H2,2H3;/q4*-1;+4