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benzoic acid; 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium; dichloride
benzoic acid; 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium; dichloride
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Descriptors Computed from Structure
Canonical SMILES:
C1CCC2=C(C1)CC3=C2CCC[CH-]3.C1CCC2=C(C1)CC3=C2CCC[CH-]3.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.[Cl-].[Cl-].[Ti].[Ti]
Isomeric SMILES
C1CCC2=C(C1)CC3=C2CCC[CH-]3.C1CCC2=C(C1)CC3=C2CCC[CH-]3.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.[Cl-].[Cl-].[Ti].[Ti]
InChI
InChI=1S/2C13H17.2C7H6O2.2ClH.2Ti/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*8-7(9)6-4-2-1-3-5-6;;;;/h2*5H,1-4,6-9H2;2*1-5H,(H,8,9);2*1H;;/q2*-1;;;;;;/p-2
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