bis(2,6-dimethyl-4-nitro-phenoxy)-methyl-alumane

Systemtic Name: bis(2,6-dimethyl-4-nitro-phenoxy)-methyl-alumane Openeye Name: bis(2,6-dimethyl-4-nitro-phenoxy)-methyl-alumane CAS Name: bis(2,6-dimethyl-4-nitrophenoxy)-methylalumane IUPAC Name: bis(2,6-dimethyl-4-nitrophenoxy)-methylalumane Traditional Name: bis(2,6-dimethyl-4-nitro-phenoxy)-methyl-alumane Formula: C17H19AlN2O6 MolecularWeight: 374.324098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O[Al](C)OC2=C(C=C(C=C2C)[N+](=O)[O-])C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1O[Al](C)OC2=C(C=C(C=C2C)[N+](=O)[O-])C)C)[N+](=O)[O-]

InChI

InChI=1S/2C8H9NO3.CH3.Al/c2*1-5-3-7(9(11)12)4-6(2)8(5)10;;/h2*3-4,10H,1-2H3;1H3;/q;;;+2/p-2