barium(2+); 2,4,6-tris(2-azanylpropan-2-yl)phenolate

Systemtic Name: barium(2+); 2,4,6-tris(2-azanylpropan-2-yl)phenolate Openeye Name: barium(2+); 2,4,6-tris(1-amino-1-methyl-ethyl)phenolate CAS Name: barium(2+); 2,4,6-tris(2-aminopropan-2-yl)phenolate IUPAC Name: barium(2+); 2,4,6-tris(2-aminopropan-2-yl)phenolate Traditional Name: barium(2+); 2,4,6-tris(1-amino-1-methyl-ethyl)phenolate Formula: C30H52BaN6O2 MolecularWeight: 666.09988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C(C(=C1)C(C)(C)N)[O-])C(C)(C)N)N.CC(C)(C1=CC(=C(C(=C1)C(C)(C)N)[O-])C(C)(C)N)N.[Ba+2]

Isomeric SMILES

CC(C)(C1=CC(=C(C(=C1)C(C)(C)N)[O-])C(C)(C)N)N.CC(C)(C1=CC(=C(C(=C1)C(C)(C)N)[O-])C(C)(C)N)N.[Ba+2]

InChI

InChI=1S/2C15H27N3O.Ba/c2*1-13(2,16)9-7-10(14(3,4)17)12(19)11(8-9)15(5,6)18;/h2*7-8,19H,16-18H2,1-6H3;/q;;+2/p-2