acetyloxy-(4-nitro-3-phenoxy-phenyl)alumanylium dihydroxide

Systemtic Name: acetyloxy-(4-nitro-3-phenoxy-phenyl)alumanylium dihydroxide Openeye Name: acetoxy-(4-nitro-3-phenoxy-phenyl)alumanylium dihydroxide CAS Name: acetyloxy-(4-nitro-3-phenoxyphenyl)alumanylium dihydroxide IUPAC Name: acetyloxy-(4-nitro-3-phenoxyphenyl)alumanylium dihydroxide Traditional Name: acetoxy-(4-nitro-3-phenoxy-phenyl)alumanylium dihydroxide Formula: C14H13AlNO7- MolecularWeight: 334.237058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8NO3.C2H4O2.Al.2H2O/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10;1-2(3)4;;;/h1-4,6-9H;1H3,(H,3,4);;2*1H2/q;;+2;;/p-3