ethanoic acid; (5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)thallium; perchlorate

Systemtic Name: ethanoic acid; (5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)thallium; perchlorate Openeye Name: acetic acid; (5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)thallium; perchlorate CAS Name: acetic acid; (5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)thallium; perchlorate IUPAC Name: acetic acid; (5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)thallium; perchlorate Traditional Name: acetic acid; (5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)thallium; perchlorate Formula: C11H16ClNO8Tl- MolecularWeight: 530.08294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)[Tl])C.CC(=O)O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)[Tl])C.CC(=O)O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C9H12NO2.C2H4O2.ClHO4.Tl/c1-4-12-9(11)8-6(2)5-7(3)10-8;1-2(3)4;2-1(3,4)5;/h10H,4H2,1-3H3;1H3,(H,3,4);(H,2,3,4,5);/p-1