bismuth; 2-azanyl-N,N-diethyl-3-sulfanylidene-propanamide; 5-[(Z)-2-azanyl-2-nitro-ethenoxy]-3-ethoxycarbonyl-3-oxidanyl-5-oxidanylidene-pentanoate

Systemtic Name: bismuth; 2-azanyl-N,N-diethyl-3-sulfanylidene-propanamide; 5-[(Z)-2-azanyl-2-nitro-ethenoxy]-3-ethoxycarbonyl-3-oxidanyl-5-oxidanylidene-pentanoate Openeye Name: bismuth; 2-amino-N,N-diethyl-3-thioxo-propanamide; 5-[(Z)-2-amino-2-nitro-vinyloxy]-3-ethoxycarbonyl-3-hydroxy-5-oxo-pentanoate CAS Name: bismuth; 2-amino-N,N-diethyl-3-sulfanylidenepropanamide; 5-[(Z)-2-amino-2-nitroethenoxy]-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoate IUPAC Name: bismuth; 2-amino-N,N-diethyl-3-sulfanylidenepropanamide; 5-[(Z)-2-amino-2-nitroethenoxy]-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoate Traditional Name: bismuth; 2-amino-N,N-diethyl-3-thioxo-propionamide; 5-[(Z)-2-amino-2-nitro-vinyloxy]-3-carbethoxy-3-hydroxy-5-keto-valerate Formula: C51H81BiN12O30S3 MolecularWeight: 1647.42662

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C=S)N.CCN(CC)C(=O)C(C=S)N.CCN(CC)C(=O)C(C=S)N.CCOC(=O)C(CC(=O)[O-])(CC(=O)OC=C(N)[N+](=O)[O-])O.CCOC(=O)C(CC(=O)[O-])(CC(=O)OC=C(N)[N+](=O)[O-])O.CCOC(=O)C(CC(=O)[O-])(CC(=O)OC=C(N)[N+](=O)[O-])O.[Bi+3]

Isomeric SMILES

CCN(C(=O)C(N)C=S)CC.CCN(C(=O)C(N)C=S)CC.CCN(C(=O)C(N)C=S)CC.CCOC(=O)C(O)(CC(=O)O/C=C(\[N+](=O)[O-])/N)CC(=O)[O-].CCOC(=O)C(O)(CC(=O)O/C=C(\[N+](=O)[O-])/N)CC(=O)[O-].CCOC(=O)C(O)(CC(=O)O/C=C(\[N+](=O)[O-])/N)CC(=O)[O-].[Bi+3]

InChI

InChI=1S/3C10H14N2O9.3C7H14N2OS.Bi/c3*1-2-20-9(16)10(17,3-7(13)14)4-8(15)21-5-6(11)12(18)19;3*1-3-9(4-2)7(10)6(8)5-11;/h3*5,17H,2-4,11H2,1H3,(H,13,14);3*5-6H,3-4,8H2,1-2H3;/q;;;;;;+3/p-3/b3*6-5-;;;;