trisodium; lanthanum; 1-(2-oxidanylnaphthalen-1-yl)naphthalen-2-ol; oxolane; hydrate

Systemtic Name: trisodium; lanthanum; 1-(2-oxidanylnaphthalen-1-yl)naphthalen-2-ol; oxolane; hydrate Openeye Name: trisodium; 1-(2-hydroxy-1-naphthyl)naphthalen-2-ol; lanthanum; tetrahydrofuran; hydrate CAS Name: trisodium; 1-(2-hydroxy-1-naphthalenyl)-2-naphthalenol; lanthanum; oxolane; hydrate IUPAC Name: trisodium; 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol; lanthanum; oxolane; hydrate Traditional Name: trisodium; 1-(2-hydroxy-1-naphthyl)-2-naphthol; lanthanum; tetrahydrofuran; hydrate Formula: C84H92LaNa3O13+3 MolecularWeight: 1517.49629

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.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.[Na+].[Na+].[Na+].[La]

Isomeric SMILES

C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.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.[Na+].[Na+].[Na+].[La]

InChI

InChI=1S/3C20H14O2.6C4H8O.La.3Na.H2O/c3*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;6*1-2-4-5-3-1;;;;;/h3*1-12,21-22H;6*1-4H2;;;;;1H2/q;;;;;;;;;;3*+1;