cyclopenta-1,3-diene; (Z)-4-oxidanylpent-3-en-2-one; titanium

Systemtic Name: cyclopenta-1,3-diene; (Z)-4-oxidanylpent-3-en-2-one; titanium Openeye Name: cyclopenta-1,3-diene; (Z)-4-hydroxypent-3-en-2-one; titanium CAS Name: cyclopenta-1,3-diene; (Z)-4-hydroxy-3-penten-2-one; titanium IUPAC Name: cyclopenta-1,3-diene; (Z)-4-hydroxypent-3-en-2-one; titanium Traditional Name: cyclopenta-1,3-diene; (Z)-4-hydroxypent-3-en-2-one; titanium Formula: C15H18O2Ti-2 MolecularWeight: 278.16922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H8O2.2C5H5.Ti/c1-4(6)3-5(2)7;2*1-2-4-5-3-1;/h3,6H,1-2H3;2*1-5H;/q;2*-1;/b4-3-;;;