tetrazinc; 3,5-bis(bromanyl)-2-propan-2-ylazanidyl-6-(propan-2-yliminomethyl)phenolate; ethane

Systemtic Name: tetrazinc; 3,5-bis(bromanyl)-2-propan-2-ylazanidyl-6-(propan-2-yliminomethyl)phenolate; ethane Openeye Name: tetrazinc; 3,5-dibromo-2-isopropylazanidyl-6-(isopropyliminomethyl)phenolate; ethane CAS Name: tetrazinc; 3,5-dibromo-2-propan-2-ylazanidyl-6-(propan-2-yliminomethyl)phenolate; ethane IUPAC Name: tetrazinc; 3,5-dibromo-2-propan-2-ylazanidyl-6-(propan-2-yliminomethyl)phenolate; ethane Traditional Name: tetrazinc; 3,5-dibromo-2-isopropylazanidyl-6-(isopropyliminomethyl)phenolate; ethane Formula: C34H52Br4N4O2Zn4 MolecularWeight: 1130.05428

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Descriptors Computed from Structure

Canonical SMILES:

C[CH2-].C[CH2-].C[CH2-].C[CH2-].CC(C)[N-]C1=C(C=C(C(=C1[O-])C=NC(C)C)Br)Br.CC(C)[N-]C1=C(C=C(C(=C1[O-])C=NC(C)C)Br)Br.[Zn+2].[Zn+2].[Zn+2].[Zn+2]

Isomeric SMILES

C[CH2-].C[CH2-].C[CH2-].C[CH2-].CC(C)[N-]C1=C(C=C(C(=C1[O-])C=NC(C)C)Br)Br.CC(C)[N-]C1=C(C=C(C(=C1[O-])C=NC(C)C)Br)Br.[Zn+2].[Zn+2].[Zn+2].[Zn+2]

InChI

InChI=1S/2C13H17Br2N2O.4C2H5.4Zn/c2*1-7(2)16-6-9-10(14)5-11(15)12(13(9)18)17-8(3)4;4*1-2;;;;/h2*5-8H,1-4H3,(H,16,18);4*1H2,2H3;;;;/q6*-1;4*+2/p-2