cyclopenta-1,3-diene; 9H-fluoren-9-ide; methylidenetitanium; naphthalene-1-carboxylic acid

Systemtic Name: cyclopenta-1,3-diene; 9H-fluoren-9-ide; methylidenetitanium; naphthalene-1-carboxylic acid Openeye Name: cyclopenta-1,3-diene; 9H-fluoren-9-ide; methylenetitanium; naphthalene-1-carboxylic acid CAS Name: cyclopenta-1,3-diene; 9H-fluoren-9-ide; methylenetitanium; 1-naphthalenecarboxylic acid IUPAC Name: cyclopenta-1,3-diene; 9H-fluoren-9-ide; methylidenetitanium; naphthalene-1-carboxylic acid Traditional Name: cyclopenta-1,3-diene; 9H-fluoren-9-ide; methylenetitanium; 1-naphthoic acid Formula: C41H32O4Ti-2 MolecularWeight: 636.55738

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Descriptors Computed from Structure

Canonical SMILES:

C=[Ti].C1C=CC=[C-]1.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.C1=CC=C2C(=C1)C=CC=C2C(=O)O.C1=CC=C2C(=C1)C=CC=C2C(=O)O

Isomeric SMILES

C=[Ti].C1C=CC=[C-]1.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.C1=CC=C2C(=C1)C=CC=C2C(=O)O.C1=CC=C2C(=C1)C=CC=C2C(=O)O

InChI

InChI=1S/C13H9.2C11H8O2.C5H5.CH2.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;1-2-4-5-3-1;;/h1-9H;2*1-7H,(H,12,13);1-3H,4H2;1H2;/q-1;;;-1;;