2,2-dioctylhexanedioate; diphenyltin(2+)

Systemtic Name: 2,2-dioctylhexanedioate; diphenyltin(2+) Openeye Name: 2,2-dioctylhexanedioate; diphenyltin(2+) CAS Name: 2,2-dioctylhexanedioate; diphenyltin(2+) IUPAC Name: 2,2-dioctylhexanedioate; diphenyltin(2+) Traditional Name: 2,2-dioctyladipate; diphenyltin(2+) Formula: C34H50O4Sn MolecularWeight: 641.4684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42O4.2C6H5.Sn/c1-3-5-7-9-11-13-17-22(21(25)26,19-15-16-20(23)24)18-14-12-10-8-6-4-2;2*1-2-4-6-5-3-1;/h3-19H2,1-2H3,(H,23,24)(H,25,26);2*1-5H;/q;;;+2/p-2