bis(2-methylpropyl)tin(2+); 2,2-bis(phenylmethyl)hexanedioate

Systemtic Name: bis(2-methylpropyl)tin(2+); 2,2-bis(phenylmethyl)hexanedioate Openeye Name: 2,2-dibenzylhexanedioate; diisobutyltin(2+) CAS Name: bis(2-methylpropyl)tin(2+); 2,2-bis(phenylmethyl)hexanedioate IUPAC Name: bis(2-methylpropyl)tin(2+); 2,2-dibenzylhexanedioate Traditional Name: 2,2-dibenzyladipate; diisobutyltin(2+) Formula: C28H38O4Sn MolecularWeight: 557.30892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22O4.2C4H9.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*1-4(2)3;/h1-6,8-11H,7,12-15H2,(H,21,22)(H,23,24);2*4H,1H2,2-3H3;/q;;;+2/p-2