2,2-dimethylhexanedioate; diphenyltin(2+)

Systemtic Name: 2,2-dimethylhexanedioate; diphenyltin(2+) Openeye Name: 2,2-dimethylhexanedioate; diphenyltin(2+) CAS Name: 2,2-dimethylhexanedioate; diphenyltin(2+) IUPAC Name: 2,2-dimethylhexanedioate; diphenyltin(2+) Traditional Name: 2,2-dimethyladipate; diphenyltin(2+) Formula: C20H22O4Sn MolecularWeight: 445.09628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC(=O)[O-])C(=O)[O-].C1=CC=C(C=C1)[Sn+2]C2=CC=CC=C2

Isomeric SMILES

CC(C)(CCCC(=O)[O-])C(=O)[O-].C1=CC=C(C=C1)[Sn+2]C2=CC=CC=C2

InChI

InChI=1S/C8H14O4.2C6H5.Sn/c1-8(2,7(11)12)5-3-4-6(9)10;2*1-2-4-6-5-3-1;/h3-5H2,1-2H3,(H,9,10)(H,11,12);2*1-5H;/q;;;+2/p-2