2-[(Z)-butylazaniumylidenemethyl]-5-methoxy-phenolate; 1,3-diphenylpropane-1,3-diol; lanthanum

Systemtic Name: 2-[(Z)-butylazaniumylidenemethyl]-5-methoxy-phenolate; 1,3-diphenylpropane-1,3-diol; lanthanum Openeye Name: 2-[(Z)-butyliminiomethyl]-5-methoxy-phenolate; 1,3-diphenylpropane-1,3-diol; lanthanum CAS Name: 2-[(Z)-butyliminiomethyl]-5-methoxyphenolate; 1,3-diphenylpropane-1,3-diol; lanthanum IUPAC Name: 2-[(Z)-butylazaniumylidenemethyl]-5-methoxyphenolate; 1,3-diphenylpropane-1,3-diol; lanthanum Traditional Name: 2-[(Z)-butyliminiomethyl]-5-methoxy-phenolate; 1,3-diphenylpropane-1,3-diol; lanthanum Formula: C69H82LaN2O10 MolecularWeight: 1238.30228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]=CC1=C(C=C(C=C1)OC)[O-].CCCC[NH+]=CC1=C(C=C(C=C1)OC)[O-].C1=CC=C(C=C1)C(CC(C2=CC=CC=C2)O)O.C1=CC=C(C=C1)C(CC(C2=CC=CC=C2)O)O.C1=CC=C(C=C1)C(CC(C2=CC=CC=C2)O)O.[La]

Isomeric SMILES

CCCC/[NH+]=C\C1=C(C=C(C=C1)OC)[O-].CCCC/[NH+]=C\C1=C(C=C(C=C1)OC)[O-].C1=CC=C(C=C1)C(O)CC(O)C2=CC=CC=C2.C1=CC=C(C=C1)C(O)CC(O)C2=CC=CC=C2.C1=CC=C(C=C1)C(O)CC(O)C2=CC=CC=C2.[La]

InChI

InChI=1S/3C15H16O2.2C12H17NO2.La/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-3-4-7-13-9-10-5-6-11(15-2)8-12(10)14;/h3*1-10,14-17H,11H2;2*5-6,8-9,14H,3-4,7H2,1-2H3;/b;;;2*13-9-;