ethanoic acid; (1-methoxy-5-oxidanyl-1-phenyl-pentan-2-yl)mercury

Systemtic Name: ethanoic acid; (1-methoxy-5-oxidanyl-1-phenyl-pentan-2-yl)mercury Openeye Name: acetic acid; [4-hydroxy-1-[methoxy(phenyl)methyl]butyl]mercury CAS Name: acetic acid; (5-hydroxy-1-methoxy-1-phenylpentan-2-yl)mercury IUPAC Name: acetic acid; (5-hydroxy-1-methoxy-1-phenylpentan-2-yl)mercury Traditional Name: acetic acid; [4-hydroxy-1-[methoxy(phenyl)methyl]butyl]mercury Formula: C14H21HgO4 MolecularWeight: 453.90414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC(C1=CC=CC=C1)C(CCCO)[Hg]

Isomeric SMILES

CC(=O)O.COC(C1=CC=CC=C1)C(CCCO)[Hg]

InChI

InChI=1S/C12H17O2.C2H4O2.Hg/c1-14-12(9-5-6-10-13)11-7-3-2-4-8-11;1-2(3)4;/h2-4,7-9,12-13H,5-6,10H2,1H3;1H3,(H,3,4);