dibutyltin(2+); 3-octylphthalate

Systemtic Name: dibutyltin(2+); 3-octylphthalate Openeye Name: dibutyltin(2+); 3-octylphthalate CAS Name: dibutyltin(2+); 3-octylphthalate IUPAC Name: dibutyltin(2+); 3-octylphthalate Traditional Name: dibutyltin(2+); 3-octylphthalate Formula: C48H76O8Sn2 MolecularWeight: 1018.53224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-].CCCCCCCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-].CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC

Isomeric SMILES

CCCCCCCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-].CCCCCCCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-].CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC

InChI

InChI=1S/2C16H22O4.4C4H9.2Sn/c2*1-2-3-4-5-6-7-9-12-10-8-11-13(15(17)18)14(12)16(19)20;4*1-3-4-2;;/h2*8,10-11H,2-7,9H2,1H3,(H,17,18)(H,19,20);4*1,3-4H2,2H3;;/q;;;;;;2*+2/p-4