1H-inden-1-ide; naphthalene-1-carboxylic acid; titanium

Systemtic Name: 1H-inden-1-ide; naphthalene-1-carboxylic acid; titanium Openeye Name: 1H-inden-1-ide; naphthalene-1-carboxylic acid; titanium CAS Name: 1H-inden-1-ide; 1-naphthalenecarboxylic acid; titanium IUPAC Name: 1H-inden-1-ide; naphthalene-1-carboxylic acid; titanium Traditional Name: 1H-inden-1-ide; 1-naphthoic acid; titanium Formula: C42H31O6Ti- MolecularWeight: 679.55894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C11H8O2.C9H7.Ti/c3*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;1-2-5-9-7-3-6-8(9)4-1;/h3*1-7H,(H,12,13);1-7H;/q;;;-1;