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methanolate; 9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; propanoic acid; titanium(2+)
methanolate; 9-methyl-2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; propanoic acid; titanium(2+)
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Descriptors Computed from Structure
Canonical SMILES:
CCC(=O)O.CCC(=O)O.CC1C2=C(CCCC2)C3=C1[CH-]CCC3.C[O-].[Ti+2]
Isomeric SMILES
CCC(=O)O.CCC(=O)O.CC1C2=C(CCCC2)C3=C1[CH-]CCC3.C[O-].[Ti+2]
InChI
InChI=1S/C14H19.2C3H6O2.CH3O.Ti/c1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14;2*1-2-3(4)5;1-2;/h6,10H,2-5,7-9H2,1H3;2*2H2,1H3,(H,4,5);1H3;/q-1;;;-1;+2
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