benzene; cobalt(3+); 3-(2-nitrophenyl)sulfanylpentane-2,4-dione

Systemtic Name: benzene; cobalt(3+); 3-(2-nitrophenyl)sulfanylpentane-2,4-dione Openeye Name: cobaltic; benzene; 3-(2-nitrophenyl)sulfanylpentane-2,4-dione CAS Name: benzene; cobalt(3+); 3-[(2-nitrophenyl)thio]pentane-2,4-dione IUPAC Name: benzene; cobalt(3+); 3-(2-nitrophenyl)sulfanylpentane-2,4-dione Traditional Name: cobaltic; benzene; 3-[(2-nitrophenyl)thio]pentane-2,4-dione Formula: C39H36CoN3O12S3 MolecularWeight: 893.84424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[C-](C(=O)C)SC1=CC=CC=C1[N+](=O)[O-].CC(=O)[C-](C(=O)C)SC1=CC=CC=C1[N+](=O)[O-].CC(=O)[C-](C(=O)C)SC1=CC=CC=C1[N+](=O)[O-].C1=CC=CC=C1.[Co+3]

Isomeric SMILES

CC(=O)[C-](C(=O)C)SC1=CC=CC=C1[N+](=O)[O-].CC(=O)[C-](C(=O)C)SC1=CC=CC=C1[N+](=O)[O-].CC(=O)[C-](C(=O)C)SC1=CC=CC=C1[N+](=O)[O-].C1=CC=CC=C1.[Co+3]

InChI

InChI=1S/3C11H10NO4S.C6H6.Co/c3*1-7(13)11(8(2)14)17-10-6-4-3-5-9(10)12(15)16;1-2-4-6-5-3-1;/h3*3-6H,1-2H3;1-6H;/q3*-1;;+3