1-(2-oxidanylnaphthalen-1-yl)naphthalen-2-ol; 1-(7-oxidanylnaphthalen-1-yl)naphthalen-2-ol; titanium; tetrahydrate

Systemtic Name: 1-(2-oxidanylnaphthalen-1-yl)naphthalen-2-ol; 1-(7-oxidanylnaphthalen-1-yl)naphthalen-2-ol; titanium; tetrahydrate Openeye Name: 1-(2-hydroxy-1-naphthyl)naphthalen-2-ol; 1-(7-hydroxy-1-naphthyl)naphthalen-2-ol; titanium; tetrahydrate CAS Name: 1-(2-hydroxy-1-naphthalenyl)-2-naphthalenol; 1-(7-hydroxy-1-naphthalenyl)-2-naphthalenol; titanium; tetrahydrate IUPAC Name: 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol; 1-(7-hydroxynaphthalen-1-yl)naphthalen-2-ol; titanium; tetrahydrate Traditional Name: 1-(2-hydroxy-1-naphthyl)-2-naphthol; 1-(7-hydroxy-1-naphthyl)-2-naphthol; titanium; tetrahydrate Formula: C120H92O16Ti4 MolecularWeight: 1981.47288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2C3=CC=CC4=C3C=C(C=C4)O)O.C1=CC=C2C(=C1)C=CC(=C2C3=CC=CC4=C3C=C(C=C4)O)O.C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O.C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O.C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O.C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O.O.O.O.O.[Ti].[Ti].[Ti].[Ti]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2C3=CC=CC4=C3C=C(C=C4)O)O.C1=CC=C2C(=C1)C=CC(=C2C3=CC=CC4=C3C=C(C=C4)O)O.C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O.C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O.C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O.C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O.O.O.O.O.[Ti].[Ti].[Ti].[Ti]

InChI

InChI=1S/6C20H14O2.4H2O.4Ti/c4*21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;2*21-15-10-8-14-5-3-7-17(18(14)12-15)20-16-6-2-1-4-13(16)9-11-19(20)22;;;;;;;;/h6*1-12,21-22H;4*1H2;;;;