Synonyms
123334-28-1;Copper(II) 3,5-diisopropylsalicylate hydrate;Copper, tetrakis[m-[2-hydroxy-3,5-bis(1-methylethyl)benzoato-kO:kO']]di-, (Cu-Cu), hydrate (9CI);ACMC-20ecyq;CTK4B3473;AKOS025294213;RT-021900;
IUPAC Name
copper;2-carboxy-4,6-di(propan-2-yl)phenolate;hydrate;
Molecular Weight
524.113g/mol
Molecular Formula
C26H36CuO7;
Canonical SMILES
CC(C)C1=CC(=C(C(=C1)C(=O)O)[O-])C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)O)[O-])C(C)C.O.[Cu+2];
InChI
InChI=1S/2C13H18O3.Cu.H₂O/c2*1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16;;/h2*5-8,14H,1-4H3,(H,15,16);;1H2/q;;+2;/p-2;
InChI Key
SXWHJKRSFYUWQB-UHFFFAOYSA-L;
Complexity
248
Covalently-Bonded Unit Count
4
Exact Mass
523.176g/mol
H-Bond Acceptor
7
H-Bond Donor
3
Heavy Atom Count
34
Monoisotopic Mass
523.176g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
122A^2
