2,2-bis(phenylmethyl)hexanedioate; diphenyltin(2+)

Systemtic Name: 2,2-bis(phenylmethyl)hexanedioate; diphenyltin(2+) Openeye Name: 2,2-dibenzylhexanedioate; diphenyltin(2+) CAS Name: 2,2-bis(phenylmethyl)hexanedioate; diphenyltin(2+) IUPAC Name: 2,2-dibenzylhexanedioate; diphenyltin(2+) Traditional Name: 2,2-dibenzyladipate; diphenyltin(2+) Formula: C32H30O4Sn MolecularWeight: 597.2882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CCCC(=O)[O-])(CC2=CC=CC=C2)C(=O)[O-].C1=CC=C(C=C1)[Sn+2]C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(CCCC(=O)[O-])(CC2=CC=CC=C2)C(=O)[O-].C1=CC=C(C=C1)[Sn+2]C2=CC=CC=C2

InChI

InChI=1S/C20H22O4.2C6H5.Sn/c21-18(22)12-7-13-20(19(23)24,14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17;2*1-2-4-6-5-3-1;/h1-6,8-11H,7,12-15H2,(H,21,22)(H,23,24);2*1-5H;/q;;;+2/p-2