cyclohexanecarboxylic acid; 2,3-dimethylcyclopenta-1,3-diene; titanium

Systemtic Name: cyclohexanecarboxylic acid; 2,3-dimethylcyclopenta-1,3-diene; titanium Openeye Name: cyclohexanecarboxylic acid; 2,3-dimethylcyclopenta-1,3-diene; titanium CAS Name: cyclohexanecarboxylic acid; 2,3-dimethylcyclopenta-1,3-diene; titanium IUPAC Name: cyclohexanecarboxylic acid; 2,3-dimethylcyclopenta-1,3-diene; titanium Traditional Name: cyclohexanecarboxylic acid; 2,3-dimethylcyclopenta-1,3-diene; titanium Formula: C28H45O6Ti- MolecularWeight: 525.5203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC[C-]=C1C.C1CCC(CC1)C(=O)O.C1CCC(CC1)C(=O)O.C1CCC(CC1)C(=O)O.[Ti]

Isomeric SMILES

CC1=CC[C-]=C1C.C1CCC(CC1)C(=O)O.C1CCC(CC1)C(=O)O.C1CCC(CC1)C(=O)O.[Ti]

InChI

InChI=1S/3C7H12O2.C7H9.Ti/c3*8-7(9)6-4-2-1-3-5-6;1-6-4-3-5-7(6)2;/h3*6H,1-5H2,(H,8,9);4H,3H2,1-2H3;/q;;;-1;