calcium 2,4,6-tris(dimethylaminomethyl)phenolate

Systemtic Name: calcium 2,4,6-tris(dimethylaminomethyl)phenolate Openeye Name: calcium 2,4,6-tris(dimethylaminomethyl)phenolate CAS Name: calcium 2,4,6-tris(dimethylaminomethyl)phenolate IUPAC Name: calcium 2,4,6-tris(dimethylaminomethyl)phenolate Traditional Name: calcium 2,4,6-tris(dimethylaminomethyl)phenolate Formula: C30H52CaN6O2 MolecularWeight: 568.85088

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=C(C(=C1)CN(C)C)[O-])CN(C)C.CN(C)CC1=CC(=C(C(=C1)CN(C)C)[O-])CN(C)C.[Ca+2]

Isomeric SMILES

CN(C)CC1=CC(=C(C(=C1)CN(C)C)[O-])CN(C)C.CN(C)CC1=CC(=C(C(=C1)CN(C)C)[O-])CN(C)C.[Ca+2]

InChI

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