cyclohexanecarboxylic acid; methanolate; 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-9-ide; titanium(3+)

Systemtic Name: cyclohexanecarboxylic acid; methanolate; 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-9-ide; titanium(3+) Openeye Name: cyclohexanecarboxylic acid; methanolate; 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-9-ide; titanium(3+) CAS Name: cyclohexanecarboxylic acid; methanolate; 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-9-ide; titanium(3+) IUPAC Name: cyclohexanecarboxylic acid; methanolate; 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-9-ide; titanium(3+) Traditional Name: cyclohexanecarboxylic acid; methanolate; 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-9-ide; titanium(3+) Formula: C22H35O4Ti MolecularWeight: 411.3779

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Descriptors Computed from Structure

Canonical SMILES:

C[O-].C[O-].C1CCC(CC1)C(=O)O.C1CCC2=C(C1)[CH-]C3=C2CCCC3.[Ti+3]

Isomeric SMILES

C[O-].C[O-].C1CCC(CC1)C(=O)O.C1CCC2=C(C1)[CH-]C3=C2CCCC3.[Ti+3]

InChI

InChI=1S/C13H17.C7H12O2.2CH3O.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;8-7(9)6-4-2-1-3-5-6;2*1-2;/h9H,1-8H2;6H,1-5H2,(H,8,9);2*1H3;/q-1;;2*-1;+3