bismuth; (Z)-N1'-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-N1-methyl-2-nitro-ethene-1,1-diamine; 2-oxidanylnonadecane-1,2,3-tricarboxylate

Systemtic Name: bismuth; (Z)-N1'-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-N1-methyl-2-nitro-ethene-1,1-diamine; 2-oxidanylnonadecane-1,2,3-tricarboxylate Openeye Name: bismuth; (Z)-N1'-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-N1-methyl-2-nitro-ethene-1,1-diamine; 2-hydroxynonadecane-1,2,3-tricarboxylate CAS Name: bismuth; (Z)-N1'-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]-N1-methyl-2-nitroethene-1,1-diamine; 2-hydroxynonadecane-1,2,3-tricarboxylate IUPAC Name: bismuth; (Z)-1-N'-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine; 2-hydroxynonadecane-1,2,3-tricarboxylate Traditional Name: bismuth; dimethyl-[[5-[[2-[[(Z)-1-(methylamino)-2-nitro-vinyl]amino]ethylthio]methyl]-2-furyl]methyl]amine; 2-hydroxynonadecane-1,2,3-tricarboxylate Formula: C35H59BiN4O10S MolecularWeight: 936.90914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C.[Bi+3]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.CN/C(=C/[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C.[Bi+3]

InChI

InChI=1S/C22H40O7.C13H22N4O3S.Bi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(25)26)22(29,21(27)28)17-19(23)24;1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h18,29H,2-17H2,1H3,(H,23,24)(H,25,26)(H,27,28);4-5,9,14-15H,6-8,10H2,1-3H3;/q;;+3/p-3/b;13-9-;