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