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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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;/p-2