butyltin(3+); (Z)-3-octoxycarbonyl-2-octyl-undec-2-enoate

Systemtic Name: butyltin(3+); (Z)-3-octoxycarbonyl-2-octyl-undec-2-enoate Openeye Name: butyltin(3+); (Z)-3-octoxycarbonyl-2-octyl-undec-2-enoate CAS Name: butyltin(3+); (Z)-3-[octoxy(oxo)methyl]-2-octyl-2-undecenoate IUPAC Name: butyltin(3+); (Z)-3-octoxycarbonyl-2-octylundec-2-enoate Traditional Name: butyltin(3+); (Z)-3-octoxycarbonyl-2-octyl-undec-2-enoate Formula: C88H162O12Sn MolecularWeight: 1530.93068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=C(CCCCCCCC)C(=O)OCCCCCCCC)C(=O)[O-].CCCCCCCCC(=C(CCCCCCCC)C(=O)OCCCCCCCC)C(=O)[O-].CCCCCCCCC(=C(CCCCCCCC)C(=O)OCCCCCCCC)C(=O)[O-].CCCC[Sn+3]

Isomeric SMILES

CCCCCCCC/C(=C(/C(=O)OCCCCCCCC)\CCCCCCCC)/C(=O)[O-].CCCCCCCC/C(=C(/C(=O)OCCCCCCCC)\CCCCCCCC)/C(=O)[O-].CCCCCCCC/C(=C(/C(=O)OCCCCCCCC)\CCCCCCCC)/C(=O)[O-].CCCC[Sn+3]

InChI

InChI=1S/3C28H52O4.C4H9.Sn/c3*1-4-7-10-13-16-19-22-25(27(29)30)26(23-20-17-14-11-8-5-2)28(31)32-24-21-18-15-12-9-6-3;1-3-4-2;/h3*4-24H2,1-3H3,(H,29,30);1,3-4H2,2H3;/q;;;;+3/p-3/b3*26-25-;;