2,2-bis(phenylmethyl)hexanedioate; ditert-butyltin(2+)

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[Sn+2]C(C)(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]C(C)(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*1-3H3;/q;;;+2/p-2