bismuth; (2S)-2-oxidanyl-2-phenyl-ethanoic acid; hydrate

Systemtic Name: bismuth; (2S)-2-oxidanyl-2-phenyl-ethanoic acid; hydrate Openeye Name: bismuth; (2S)-2-hydroxy-2-phenyl-acetic acid; hydrate CAS Name: bismuth; (2S)-2-hydroxy-2-phenylacetic acid; hydrate IUPAC Name: bismuth; (2S)-2-hydroxy-2-phenylacetic acid; hydrate Traditional Name: bismuth; (2S)-2-hydroxy-2-phenyl-acetic acid; hydrate Formula: C32H34Bi2O13 MolecularWeight: 1044.56532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)O.C1=CC=C(C=C1)C(C(=O)O)O.C1=CC=C(C=C1)C(C(=O)O)O.C1=CC=C(C=C1)C(C(=O)O)O.O.[Bi].[Bi]

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C(=O)O)O.C1=CC=C(C=C1)[C@@H](C(=O)O)O.C1=CC=C(C=C1)[C@@H](C(=O)O)O.C1=CC=C(C=C1)[C@@H](C(=O)O)O.O.[Bi].[Bi]

InChI

InChI=1S/4C8H8O3.2Bi.H2O/c4*9-7(8(10)11)6-4-2-1-3-5-6;;;/h4*1-5,7,9H,(H,10,11);;;1H2/t4*7-;;;/m0000.../s1