2-butylcyclopenta-1,3-diene; 2,6-dimethoxyphenolate; titanium(2+)

Systemtic Name: 2-butylcyclopenta-1,3-diene; 2,6-dimethoxyphenolate; titanium(2+) Openeye Name: 2-butylcyclopenta-1,3-diene; 2,6-dimethoxyphenolate; titanium(2+) CAS Name: 2-butylcyclopenta-1,3-diene; 2,6-dimethoxyphenolate; titanium(2+) IUPAC Name: 2-butylcyclopenta-1,3-diene; 2,6-dimethoxyphenolate; titanium(2+) Traditional Name: 2-butylcyclopenta-1,3-diene; 2,6-dimethoxyphenolate; titanium(2+) Formula: C52H70O6Ti2-2 MolecularWeight: 886.8426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.COC1=C(C(=CC=C1)OC)[O-].COC1=C(C(=CC=C1)OC)[O-].[Ti+2].[Ti+2]

Isomeric SMILES

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.COC1=C(C(=CC=C1)OC)[O-].COC1=C(C(=CC=C1)OC)[O-].[Ti+2].[Ti+2]

InChI

InChI=1S/4C9H13.2C8H10O3.2Ti/c4*1-2-3-6-9-7-4-5-8-9;2*1-10-6-4-3-5-7(11-2)8(6)9;;/h4*4,7H,2-3,5-6H2,1H3;2*3-5,9H,1-2H3;;/q4*-1;;;2*+2/p-2