9H-fluoren-9-ide; naphthalene-1-carboxylic acid; titanium(2+)

Systemtic Name: 9H-fluoren-9-ide; naphthalene-1-carboxylic acid; titanium(2+) Openeye Name: 9H-fluoren-9-ide; naphthalene-1-carboxylic acid; titanium(2+) CAS Name: 9H-fluoren-9-ide; 1-naphthalenecarboxylic acid; titanium(2+) IUPAC Name: 9H-fluoren-9-ide; naphthalene-1-carboxylic acid; titanium(2+) Traditional Name: 9H-fluoren-9-ide; 1-naphthoic acid; titanium(2+) Formula: C48H34O4Ti MolecularWeight: 722.64816

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[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.[Ti+2]

Isomeric SMILES

[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[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.[Ti+2]

InChI

InChI=1S/2C13H9.2C11H8O2.Ti/c2*1-3-7-12-10(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;/h2*1-9H;2*1-7H,(H,12,13);/q2*-1;;;+2