ethane-1,1-diol; ethanoic acid; methanol; nickel; 2-[(3-oxidanylpropylamino)methyl]phenol

Systemtic Name: ethane-1,1-diol; ethanoic acid; methanol; nickel; 2-[(3-oxidanylpropylamino)methyl]phenol Openeye Name: acetic acid; ethane-1,1-diol; 2-[(3-hydroxypropylamino)methyl]phenol; methanol; nickel CAS Name: acetic acid; ethane-1,1-diol; 2-[(3-hydroxypropylamino)methyl]phenol; methanol; nickel IUPAC Name: acetic acid; ethane-1,1-diol; 2-[(3-hydroxypropylamino)methyl]phenol; methanol; nickel Traditional Name: acetic acid; ethane-1,1-diol; 2-[(3-hydroxypropylamino)methyl]phenol; methanol; nickel Formula: C30H58N2Ni3O14 MolecularWeight: 846.86672

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)O.CC(O)O.CC(=O)O.CC(=O)O.CO.CO.C1=CC=C(C(=C1)CNCCCO)O.C1=CC=C(C(=C1)CNCCCO)O.[Ni].[Ni].[Ni]

Isomeric SMILES

CC(O)O.CC(O)O.CC(=O)O.CC(=O)O.CO.CO.C1=CC=C(C(=C1)CNCCCO)O.C1=CC=C(C(=C1)CNCCCO)O.[Ni].[Ni].[Ni]

InChI

InChI=1S/2C10H15NO2.2C2H6O2.2C2H4O2.2CH4O.3Ni/c2*12-7-3-6-11-8-9-4-1-2-5-10(9)13;4*1-2(3)4;2*1-2;;;/h2*1-2,4-5,11-13H,3,6-8H2;2*2-4H,1H3;2*1H3,(H,3,4);2*2H,1H3;;;