calcium 2,4,5-tris(2-azanylpropan-2-yl)phenolate

Systemtic Name: calcium 2,4,5-tris(2-azanylpropan-2-yl)phenolate Openeye Name: calcium 2,4,5-tris(1-amino-1-methyl-ethyl)phenolate CAS Name: calcium 2,4,5-tris(2-aminopropan-2-yl)phenolate IUPAC Name: calcium 2,4,5-tris(2-aminopropan-2-yl)phenolate Traditional Name: calcium 2,4,5-tris(1-amino-1-methyl-ethyl)phenolate Formula: C30H52CaN6O2 MolecularWeight: 568.85088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C(C=C1C(C)(C)N)[O-])C(C)(C)N)N.CC(C)(C1=CC(=C(C=C1C(C)(C)N)[O-])C(C)(C)N)N.[Ca+2]

Isomeric SMILES

CC(C)(C1=CC(=C(C=C1C(C)(C)N)[O-])C(C)(C)N)N.CC(C)(C1=CC(=C(C=C1C(C)(C)N)[O-])C(C)(C)N)N.[Ca+2]

InChI

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