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naphthalene-1-carboxylic acid; 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-9-ide; titanium
naphthalene-1-carboxylic acid; 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-9-ide; titanium
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Descriptors Computed from Structure
Canonical SMILES:
C1CCC2=C(C1)[CH-]C3=C2CCCC3.C1=CC=C2C(=C1)C=CC=C2C(=O)O.C1=CC=C2C(=C1)C=CC=C2C(=O)O.C1=CC=C2C(=C1)C=CC=C2C(=O)O.[Ti]
Isomeric SMILES
C1CCC2=C(C1)[CH-]C3=C2CCCC3.C1=CC=C2C(=C1)C=CC=C2C(=O)O.C1=CC=C2C(=C1)C=CC=C2C(=O)O.C1=CC=C2C(=C1)C=CC=C2C(=O)O.[Ti]
InChI
InChI=1S/C13H17.3C11H8O2.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;3*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;/h9H,1-8H2;3*1-7H,(H,12,13);/q-1;;;;
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