cyclopenta-1,3-diene; (4-methylphenyl)methanone; titanium(4+)

Systemtic Name: cyclopenta-1,3-diene; (4-methylphenyl)methanone; titanium(4+) Openeye Name: cyclopenta-1,3-diene; p-tolylmethanone; titanium(4+) CAS Name: cyclopenta-1,3-diene; (4-methylphenyl)methanone; titanium(4+) IUPAC Name: cyclopenta-1,3-diene; (4-methylphenyl)methanone; titanium(4+) Traditional Name: cyclopenta-1,3-diene; p-tolylmethanone; titanium(4+) Formula: C26H24O2Ti MolecularWeight: 416.33456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[C-]=O.CC1=CC=C(C=C1)[C-]=O.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

Isomeric SMILES

CC1=CC=C(C=C1)[C-]=O.CC1=CC=C(C=C1)[C-]=O.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

InChI

InChI=1S/2C8H7O.2C5H5.Ti/c2*1-7-2-4-8(6-9)5-3-7;2*1-2-4-5-3-1;/h2*2-5H,1H3;2*1-3H,4H2;/q4*-1;+4