acetyloxy-(4-oxidanyl-3-phenyl-thiophen-2-yl)alumanylium dihydroxide

Systemtic Name: acetyloxy-(4-oxidanyl-3-phenyl-thiophen-2-yl)alumanylium dihydroxide Openeye Name: acetoxy-(4-hydroxy-3-phenyl-2-thienyl)alumanylium dihydroxide CAS Name: acetyloxy-(4-hydroxy-3-phenyl-2-thiophenyl)alumanylium dihydroxide IUPAC Name: acetyloxy-(4-hydroxy-3-phenylthiophen-2-yl)alumanylium dihydroxide Traditional Name: acetoxy-(4-hydroxy-3-phenyl-2-thienyl)alumanylium dihydroxide Formula: C12H12AlO5S- MolecularWeight: 295.267218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7OS.C2H4O2.Al.2H2O/c11-10-7-12-6-9(10)8-4-2-1-3-5-8;1-2(3)4;;;/h1-5,7,11H;1H3,(H,3,4);;2*1H2/q;;+2;;/p-3