cyclopentane; erbium(3+); N-ethyl-2-phenyl-butanimidate; 2-phenylbut-1-en-1-one

Systemtic Name: cyclopentane; erbium(3+); N-ethyl-2-phenyl-butanimidate; 2-phenylbut-1-en-1-one Openeye Name: cyclopentane; erbium(3+); N-ethyl-2-phenyl-butanimidate; 2-phenylbut-1-en-1-one CAS Name: cyclopentane; erbium(3+); N-ethyl-2-phenylbutanimidate; 2-phenyl-1-buten-1-one IUPAC Name: cyclopentane; erbium(3+); N-ethyl-2-phenylbutanimidate; 2-phenylbut-1-en-1-one Traditional Name: cyclopentane; erbium(3+); N-ethyl-2-phenyl-butyrimidate; 2-phenylbut-1-en-1-one Formula: C64H72Er2N2O4+4 MolecularWeight: 1267.78548

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=NCC)[O-].CCC(C1=CC=CC=C1)C(=NCC)[O-].CCC(=C=O)C1=CC=CC=C1.CCC(=C=O)C1=CC=CC=C1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Er+3].[Er+3]

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=NCC)[O-].CCC(C1=CC=CC=C1)C(=NCC)[O-].CCC(=C=O)C1=CC=CC=C1.CCC(=C=O)C1=CC=CC=C1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Er+3].[Er+3]

InChI

InChI=1S/2C12H17NO.2C10H10O.4C5H5.2Er/c2*1-3-11(12(14)13-4-2)10-8-6-5-7-9-10;2*1-2-9(8-11)10-6-4-3-5-7-10;4*1-2-4-5-3-1;;/h2*5-9,11H,3-4H2,1-2H3,(H,13,14);2*3-7H,2H2,1H3;4*1-5H;;/q;;;;;;;;2*+3/p-2