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

Systemtic Name: 2-butylcyclopenta-1,3-diene; 2-methylpent-4-en-2-olate; titanium(4+) Openeye Name: 2-butylcyclopenta-1,3-diene; 2-methylpent-4-en-2-olate; titanium(4+) CAS Name: 2-butylcyclopenta-1,3-diene; 2-methyl-4-penten-2-olate; titanium(4+) IUPAC Name: 2-butylcyclopenta-1,3-diene; 2-methylpent-4-en-2-olate; titanium(4+) Traditional Name: 2-butylcyclopenta-1,3-diene; 2-methylpent-4-en-2-olate; titanium(4+) Formula: C27H46O3Ti MolecularWeight: 466.51934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13.3C6H11O.Ti/c1-2-3-6-9-7-4-5-8-9;3*1-4-5-6(2,3)7;/h4,7H,2-3,5-6H2,1H3;3*4H,1,5H2,2-3H3;/q4*-1;+4