cyclopenta-1,3-diene; (Z)-4-cyclopenta-2,4-dien-1-yl-4-oxidanyl-but-3-en-2-one; iron; propan-2-ol; titanium

Systemtic Name: cyclopenta-1,3-diene; (Z)-4-cyclopenta-2,4-dien-1-yl-4-oxidanyl-but-3-en-2-one; iron; propan-2-ol; titanium Openeye Name: cyclopenta-1,3-diene; (Z)-4-cyclopenta-2,4-dien-1-yl-4-hydroxy-but-3-en-2-one; iron; propan-2-ol; titanium CAS Name: cyclopenta-1,3-diene; (Z)-4-(1-cyclopenta-2,4-dienyl)-4-hydroxy-3-buten-2-one; iron; 2-propanol; titanium IUPAC Name: cyclopenta-1,3-diene; (Z)-4-cyclopenta-2,4-dien-1-yl-4-hydroxybut-3-en-2-one; iron; propan-2-ol; titanium Traditional Name: cyclopenta-1,3-diene; (Z)-4-cyclopenta-2,4-dien-1-yl-4-hydroxy-but-3-en-2-one; iron; propan-2-ol; titanium Formula: C34H44Fe2O6Ti-4 MolecularWeight: 708.26656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.CC(C)O.CC(=O)C=C([C-]1C=CC=C1)O.CC(=O)C=C([C-]1C=CC=C1)O.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Ti].[Fe].[Fe]

Isomeric SMILES

CC(O)C.CC(O)C.CC(=O)/C=C(\O)/[C-]1C=CC=C1.CC(=O)/C=C(\O)/[C-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Ti].[Fe].[Fe]

InChI

InChI=1S/2C9H9O2.2C5H5.2C3H8O.2Fe.Ti/c2*1-7(10)6-9(11)8-4-2-3-5-8;2*1-2-4-5-3-1;2*1-3(2)4;;;/h2*2-6,11H,1H3;2*1-5H;2*3-4H,1-2H3;;;/q4*-1;;;;;/b2*9-6-;;;;;;;