benzoic acid; 1,9-dihydrofluoren-1-ide; methylidenetitanium

Systemtic Name: benzoic acid; 1,9-dihydrofluoren-1-ide; methylidenetitanium Openeye Name: benzoic acid; 1,9-dihydrofluoren-1-ide; methylenetitanium CAS Name: benzoic acid; 1,9-dihydrofluoren-1-ide; methylenetitanium IUPAC Name: benzoic acid; 1,9-dihydrofluoren-1-ide; methylidenetitanium Traditional Name: benzoic acid; 1,9-dihydrofluoren-1-ide; methylenetitanium Formula: C41H32O4Ti-2 MolecularWeight: 636.55738

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Descriptors Computed from Structure

Canonical SMILES:

C=[Ti].C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C=[Ti].C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/2C13H9.2C7H6O2.CH2.Ti/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*8-7(9)6-4-2-1-3-5-6;;/h2*1-5,7-8H,9H2;2*1-5H,(H,8,9);1H2;/q2*-1;;;;