cobalt(3+); ethane-1,2-diamine; 4-methylbenzoate; dihydrate

Systemtic Name: cobalt(3+); ethane-1,2-diamine; 4-methylbenzoate; dihydrate Openeye Name: cobaltic; ethane-1,2-diamine; 4-methylbenzoate; dihydrate CAS Name: cobalt(3+); ethane-1,2-diamine; 4-methylbenzoate; dihydrate IUPAC Name: cobalt(3+); ethane-1,2-diamine; 4-methylbenzoate; dihydrate Traditional Name: cobaltic; 2-aminoethylamine; 4-methylbenzoate; dihydrate Formula: C28H41CoN4O8 MolecularWeight: 620.58034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)[O-].CC1=CC=C(C=C1)C(=O)[O-].CC1=CC=C(C=C1)C(=O)[O-].C(CN)N.C(CN)N.O.O.[Co+3]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[O-].CC1=CC=C(C=C1)C(=O)[O-].CC1=CC=C(C=C1)C(=O)[O-].C(CN)N.C(CN)N.O.O.[Co+3]

InChI

InChI=1S/3C8H8O2.2C2H8N2.Co.2H2O/c3*1-6-2-4-7(5-3-6)8(9)10;2*3-1-2-4;;;/h3*2-5H,1H3,(H,9,10);2*1-4H2;;2*1H2/q;;;;;+3;;/p-3