2-(4-chloranyl-3-phenyl-thiophen-2-yl)propanoyloxyaluminum(2+) dihydroxide

Systemtic Name: 2-(4-chloranyl-3-phenyl-thiophen-2-yl)propanoyloxyaluminum(2+) dihydroxide Openeye Name: 2-(4-chloro-3-phenyl-2-thienyl)propanoyloxyaluminum(2+) dihydroxide CAS Name: [2-(4-chloro-3-phenyl-2-thiophenyl)-1-oxopropoxy]aluminum(2+) dihydroxide IUPAC Name: 2-(4-chloro-3-phenylthiophen-2-yl)propanoyloxyaluminum(2+) dihydroxide Traditional Name: 2-(4-chloro-3-phenyl-2-thienyl)propanoyloxyaluminum(2+) dihydroxide Formula: C13H12AlClO4S MolecularWeight: 326.731518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=CS1)Cl)C2=CC=CC=C2)C(=O)O[Al+2].[OH-].[OH-]

Isomeric SMILES

CC(C1=C(C(=CS1)Cl)C2=CC=CC=C2)C(=O)O[Al+2].[OH-].[OH-]

InChI

InChI=1S/C13H11ClO2S.Al.2H2O/c1-8(13(15)16)12-11(10(14)7-17-12)9-5-3-2-4-6-9;;;/h2-8H,1H3,(H,15,16);;2*1H2/q;+3;;/p-3