butyl(hexyl)tin(2+); (E)-2-tert-butyl-3-(phenylmethyl)but-2-enedioate

Systemtic Name: butyl(hexyl)tin(2+); (E)-2-tert-butyl-3-(phenylmethyl)but-2-enedioate Openeye Name: (E)-2-benzyl-3-tert-butyl-but-2-enedioate; butyl(hexyl)tin(2+) CAS Name: butyl(hexyl)tin(2+); (E)-2-tert-butyl-3-(phenylmethyl)-2-butenedioate IUPAC Name: (E)-2-benzyl-3-tert-butylbut-2-enedioate; butyl(hexyl)tin(2+) Traditional Name: (E)-2-benzyl-3-tert-butyl-but-2-enedioate; butyl(hexyl)tin(2+) Formula: C40H54O8Sn-2 MolecularWeight: 781.56196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[Sn+2]CCCC.CC(C)(C)C(=C(CC1=CC=CC=C1)C(=O)[O-])C(=O)[O-].CC(C)(C)C(=C(CC1=CC=CC=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCC[Sn+2]CCCC.CC(/C(=C(\C(=O)[O-])/CC1=CC=CC=C1)/C(=O)[O-])(C)C.CC(/C(=C(\C(=O)[O-])/CC1=CC=CC=C1)/C(=O)[O-])(C)C

InChI

InChI=1S/2C15H18O4.C6H13.C4H9.Sn/c2*1-15(2,3)12(14(18)19)11(13(16)17)9-10-7-5-4-6-8-10;1-3-5-6-4-2;1-3-4-2;/h2*4-8H,9H2,1-3H3,(H,16,17)(H,18,19);1,3-6H2,2H3;1,3-4H2,2H3;/q;;;;+2/p-4/b2*12-11-;;;