tetraaluminum; [2-[bis(oxidanyl)methyl]phenyl]azanide; ethane

Systemtic Name: tetraaluminum; [2-[bis(oxidanyl)methyl]phenyl]azanide; ethane Openeye Name: tetraaluminum; [2-(dihydroxymethyl)phenyl]azanide; ethane CAS Name: tetraaluminum; [2-(dihydroxymethyl)phenyl]azanide; ethane IUPAC Name: tetraaluminum; [2-(dihydroxymethyl)phenyl]azanide; ethane Traditional Name: tetraaluminum; [2-(dihydroxymethyl)phenyl]azanide; ethane Formula: C30H56Al4N2O4+2 MolecularWeight: 616.702792

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Descriptors Computed from Structure

Canonical SMILES:

C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].C1=CC=C(C(=C1)C(O)O)[NH-].C1=CC=C(C(=C1)C(O)O)[NH-].[Al+3].[Al+3].[Al+3].[Al+3]

Isomeric SMILES

C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].C1=CC=C(C(=C1)C(O)O)[NH-].C1=CC=C(C(=C1)C(O)O)[NH-].[Al+3].[Al+3].[Al+3].[Al+3]

InChI

InChI=1S/2C7H8NO2.8C2H5.4Al/c2*8-6-4-2-1-3-5(6)7(9)10;8*1-2;;;;/h2*1-4,7-10H;8*1H2,2H3;;;;/q10*-1;4*+3