acetyloxy-(2-methyl-5-phenoxy-phenyl)alumanylium dihydroxide

Systemtic Name: acetyloxy-(2-methyl-5-phenoxy-phenyl)alumanylium dihydroxide Openeye Name: acetoxy-(2-methyl-5-phenoxy-phenyl)alumanylium dihydroxide CAS Name: acetyloxy-(2-methyl-5-phenoxyphenyl)alumanylium dihydroxide IUPAC Name: acetyloxy-(2-methyl-5-phenoxyphenyl)alumanylium dihydroxide Traditional Name: acetoxy-(2-methyl-5-phenoxy-phenyl)alumanylium dihydroxide Formula: C15H16AlO5- MolecularWeight: 303.266078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=CC=CC=C2)[Al+]OC(=O)C.[OH-].[OH-]

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=CC=CC=C2)[Al+]OC(=O)C.[OH-].[OH-]

InChI

InChI=1S/C13H11O.C2H4O2.Al.2H2O/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;1-2(3)4;;;/h2-7,9-10H,1H3;1H3,(H,3,4);;2*1H2/q;;+2;;/p-3