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

Systemtic Name: 1H-inden-1-ide; naphthalene-1-carboxylic acid; titanium(2+) Openeye Name: 1H-inden-1-ide; naphthalene-1-carboxylic acid; titanium(2+) CAS Name: 1H-inden-1-ide; 1-naphthalenecarboxylic acid; titanium(2+) IUPAC Name: 1H-inden-1-ide; naphthalene-1-carboxylic acid; titanium(2+) Traditional Name: 1H-inden-1-ide; 1-naphthoic acid; titanium(2+) Formula: C40H30O4Ti MolecularWeight: 622.5308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.C1=CC=C2C(=C1)C=CC=C2C(=O)O.C1=CC=C2C(=C1)C=CC=C2C(=O)O.[Ti+2]

Isomeric SMILES

[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.C1=CC=C2C(=C1)C=CC=C2C(=O)O.C1=CC=C2C(=C1)C=CC=C2C(=O)O.[Ti+2]

InChI

InChI=1S/2C11H8O2.2C9H7.Ti/c2*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;2*1-2-5-9-7-3-6-8(9)4-1;/h2*1-7H,(H,12,13);2*1-7H;/q;;2*-1;+2