butane; 2-methylcyclopenta-1,3-diene; titanium(2+); tribenzoate

Systemtic Name: butane; 2-methylcyclopenta-1,3-diene; titanium(2+); tribenzoate Openeye Name: butane; 2-methylcyclopenta-1,3-diene; titanium(2+); tribenzoate CAS Name: butane; 2-methylcyclopenta-1,3-diene; titanium(2+); tribenzoate IUPAC Name: butane; 2-methylcyclopenta-1,3-diene; titanium(2+); tribenzoate Traditional Name: butane; 2-methylcyclopenta-1,3-diene; titanium(2+); tribenzoate Formula: C31H31O6Ti-3 MolecularWeight: 547.44124

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Descriptors Computed from Structure

Canonical SMILES:

CCC[CH2-].CC1=CC[C-]=C1.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ti+2]

Isomeric SMILES

CCC[CH2-].CC1=CC[C-]=C1.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ti+2]

InChI

InChI=1S/3C7H6O2.C6H7.C4H9.Ti/c3*8-7(9)6-4-2-1-3-5-6;1-6-4-2-3-5-6;1-3-4-2;/h3*1-5H,(H,8,9);4-5H,2H2,1H3;1,3-4H2,2H3;/q;;;2*-1;+2/p-3