calcium 2-[(2-azanylethylamino)methyl]-4-dodecyl-phenolate

Systemtic Name: calcium 2-[(2-azanylethylamino)methyl]-4-dodecyl-phenolate Openeye Name: calcium 2-[(2-aminoethylamino)methyl]-4-dodecyl-phenolate CAS Name: calcium 2-[(2-aminoethylamino)methyl]-4-dodecylphenolate IUPAC Name: calcium 2-[(2-aminoethylamino)methyl]-4-dodecylphenolate Traditional Name: calcium 2-[(2-aminoethylamino)methyl]-4-lauryl-phenolate Formula: C42H74CaN4O2 MolecularWeight: 707.14056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C=C1)[O-])CNCCN.CCCCCCCCCCCCC1=CC(=C(C=C1)[O-])CNCCN.[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(C=C1)[O-])CNCCN.CCCCCCCCCCCCC1=CC(=C(C=C1)[O-])CNCCN.[Ca+2]

InChI

InChI=1S/2C21H38N2O.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-19-13-14-21(24)20(17-19)18-23-16-15-22;/h2*13-14,17,23-24H,2-12,15-16,18,22H2,1H3;/q;;+2/p-2