benzoic acid; cyclopenta-1,3-diene; 1H-inden-1-ide; methylidenetitanium

Systemtic Name: benzoic acid; cyclopenta-1,3-diene; 1H-inden-1-ide; methylidenetitanium Openeye Name: benzoic acid; cyclopenta-1,3-diene; 1H-inden-1-ide; methylenetitanium CAS Name: benzoic acid; cyclopenta-1,3-diene; 1H-inden-1-ide; methylenetitanium IUPAC Name: benzoic acid; cyclopenta-1,3-diene; 1H-inden-1-ide; methylidenetitanium Traditional Name: benzoic acid; cyclopenta-1,3-diene; 1H-inden-1-ide; methylenetitanium Formula: C29H26O4Ti-2 MolecularWeight: 486.38134

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Descriptors Computed from Structure

Canonical SMILES:

C=[Ti].C1C=CC=[C-]1.[CH-]1C=CC2=CC=CC=C21.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C=[Ti].C1C=CC=[C-]1.[CH-]1C=CC2=CC=CC=C21.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C9H7.2C7H6O2.C5H5.CH2.Ti/c1-2-5-9-7-3-6-8(9)4-1;2*8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1;;/h1-7H;2*1-5H,(H,8,9);1-3H,4H2;1H2;/q-1;;;-1;;