[(3-phenoxyphenyl)-prop-2-ynyl-alumanyl] ethanoate dihydroxide

Systemtic Name: [(3-phenoxyphenyl)-prop-2-ynyl-alumanyl] ethanoate dihydroxide Openeye Name: [(3-phenoxyphenyl)-prop-2-ynyl-alumanyl] acetate dihydroxide CAS Name: acetic acid [(3-phenoxyphenyl)-prop-2-ynylalumanyl] ester dihydroxide IUPAC Name: [(3-phenoxyphenyl)-prop-2-ynylalumanyl] acetate dihydroxide Traditional Name: acetic acid [(3-phenoxyphenyl)-propargyl-alumanyl] ester dihydroxide Formula: C17H17AlO5-2 MolecularWeight: 328.295418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O[Al](CC#C)C1=CC=CC(=C1)OC2=CC=CC=C2.[OH-].[OH-]

Isomeric SMILES

CC(=O)O[Al](CC#C)C1=CC=CC(=C1)OC2=CC=CC=C2.[OH-].[OH-]

InChI

InChI=1S/C12H9O.C3H3.C2H4O2.Al.2H2O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-2;1-2(3)4;;;/h1-5,7-10H;1H,2H2;1H3,(H,3,4);;2*1H2/q;;;+1;;/p-3