aluminum; 2-acetamido-4-methylsulfanyl-butanoate; [4-(aminocarbonylamino)-2,5-bis(oxidanylidene)imidazolidin-1-yl] hypochlorite

Systemtic Name: aluminum; 2-acetamido-4-methylsulfanyl-butanoate; [4-(aminocarbonylamino)-2,5-bis(oxidanylidene)imidazolidin-1-yl] hypochlorite Openeye Name: aluminum; 2-acetamido-4-methylsulfanyl-butanoate; (2,5-dioxo-4-ureido-imidazolidin-1-yl) hypochlorite CAS Name: aluminum; 2-acetamido-4-(methylthio)butanoate; hypochlorous acid [4-(carbamoylamino)-2,5-dioxo-1-imidazolidinyl] ester IUPAC Name: aluminum; 2-acetamido-4-methylsulfanylbutanoate; [4-(carbamoylamino)-2,5-dioxoimidazolidin-1-yl] hypochlorite Traditional Name: aluminum; 2-acetamido-4-(methylthio)butyrate; hypochlorous acid (2,5-diketo-4-ureido-imidazolidin-1-yl) ester Formula: C25H41AlClN7O13S3 MolecularWeight: 806.261678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)[O-].CC(=O)NC(CCSC)C(=O)[O-].CC(=O)NC(CCSC)C(=O)[O-].C1(C(=O)N(C(=O)N1)OCl)NC(=O)N.[Al+3]

Isomeric SMILES

CC(=O)NC(CCSC)C(=O)[O-].CC(=O)NC(CCSC)C(=O)[O-].CC(=O)NC(CCSC)C(=O)[O-].C1(C(=O)N(C(=O)N1)OCl)NC(=O)N.[Al+3]

InChI

InChI=1S/3C7H13NO3S.C4H5ClN4O4.Al/c3*1-5(9)8-6(7(10)11)3-4-12-2;5-13-9-2(10)1(7-3(6)11)8-4(9)12;/h3*6H,3-4H2,1-2H3,(H,8,9)(H,10,11);1H,(H,8,12)(H3,6,7,11);/q;;;;+3/p-3