dibutyltin(2+); 3-(6-methylheptyl)phthalate

Systemtic Name: dibutyltin(2+); 3-(6-methylheptyl)phthalate Openeye Name: dibutyltin(2+); 3-(6-methylheptyl)phthalate CAS Name: dibutyltin(2+); 3-(6-methylheptyl)phthalate IUPAC Name: dibutyltin(2+); 3-(6-methylheptyl)phthalate Traditional Name: dibutyltin(2+); 3-(6-methylheptyl)phthalate Formula: C40H58O8Sn-2 MolecularWeight: 785.59372

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn+2]CCCC.CC(C)CCCCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-].CC(C)CCCCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCC[Sn+2]CCCC.CC(C)CCCCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-].CC(C)CCCCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-]

InChI

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