4-chloranyl-2-[(5-chloranyl-2-oxidanidyl-phenyl)methyl]phenolate; diethylalumanylium; ethylaluminum(2+)

Systemtic Name: 4-chloranyl-2-[(5-chloranyl-2-oxidanidyl-phenyl)methyl]phenolate; diethylalumanylium; ethylaluminum(2+) Openeye Name: 4-chloro-2-[(5-chloro-2-oxido-phenyl)methyl]phenolate; diethylalumanylium; ethylaluminum(2+) CAS Name: 4-chloro-2-[(5-chloro-2-oxidophenyl)methyl]phenolate; diethylalumanylium; ethylaluminum(2+) IUPAC Name: 4-chloro-2-[(5-chloro-2-oxidophenyl)methyl]phenolate; diethylalumanylium; ethylaluminum(2+) Traditional Name: 4-chloro-2-(5-chloro-2-oxido-benzyl)phenolate; diethylalumanylium; ethylaluminum(2+) Formula: C36H41Al3Cl4O4 MolecularWeight: 760.464954

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Descriptors Computed from Structure

Canonical SMILES:

CC[Al+2].CC[Al+]CC.CC[Al+]CC.C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)[O-])[O-].C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)[O-])[O-]

Isomeric SMILES

CC[Al+2].CC[Al+]CC.CC[Al+]CC.C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)[O-])[O-].C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)[O-])[O-]

InChI

InChI=1S/2C13H10Cl2O2.5C2H5.3Al/c2*14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17;5*1-2;;;/h2*1-4,6-7,16-17H,5H2;5*1H2,2H3;;;/q;;;;;;;2*+1;+2/p-4