acetyloxy-(3-methyl-5-phenyl-thiophen-2-yl)alumanylium dihydroxide

Systemtic Name: acetyloxy-(3-methyl-5-phenyl-thiophen-2-yl)alumanylium dihydroxide Openeye Name: acetoxy-(3-methyl-5-phenyl-2-thienyl)alumanylium dihydroxide CAS Name: acetyloxy-(3-methyl-5-phenyl-2-thiophenyl)alumanylium dihydroxide IUPAC Name: acetyloxy-(3-methyl-5-phenylthiophen-2-yl)alumanylium dihydroxide Traditional Name: acetoxy-(3-methyl-5-phenyl-2-thienyl)alumanylium dihydroxide Formula: C13H14AlO4S- MolecularWeight: 293.294398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C2=CC=CC=C2)[Al+]OC(=O)C.[OH-].[OH-]

Isomeric SMILES

CC1=C(SC(=C1)C2=CC=CC=C2)[Al+]OC(=O)C.[OH-].[OH-]

InChI

InChI=1S/C11H9S.C2H4O2.Al.2H2O/c1-9-7-11(12-8-9)10-5-3-2-4-6-10;1-2(3)4;;;/h2-7H,1H3;1H3,(H,3,4);;2*1H2/q;;+2;;/p-3