2-henicosyl-4H-naphthalen-4-id-1-one; yttrium

Systemtic Name: 2-henicosyl-4H-naphthalen-4-id-1-one; yttrium Openeye Name: 2-henicosyl-4H-naphthalen-4-id-1-one; yttrium CAS Name: 2-heneicosyl-4H-naphthalen-4-id-1-one; yttrium IUPAC Name: 2-henicosyl-4H-naphthalen-4-id-1-one; yttrium Traditional Name: 2-heneicosyl-4H-naphthalen-4-id-1-one; yttrium Formula: C31H49OY25- MolecularWeight: 2660.36641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC1=C[CH-]C2=CC=CC=C2C1=O.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC1=C[CH-]C2=CC=CC=C2C1=O.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]

InChI

InChI=1S/C31H49O.25Y/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-29-27-26-28-23-21-22-25-30(28)31(29)32;;;;;;;;;;;;;;;;;;;;;;;;;/h21-23,25-27H,2-20,24H2,1H3;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;