(E)-but-2-enedioate; octyltin(3+)

Systemtic Name: (E)-but-2-enedioate; octyltin(3+) Openeye Name: (E)-but-2-enedioate; octyltin(3+) CAS Name: (E)-2-butenedioate; octyltin(3+) IUPAC Name: (E)-but-2-enedioate; octyltin(3+) Traditional Name: octyltin(3+) trifumarate Formula: C28H40O12Sn2 MolecularWeight: 806.03

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[Sn+3].CCCCCCCC[Sn+3].C(=CC(=O)[O-])C(=O)[O-].C(=CC(=O)[O-])C(=O)[O-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/2C8H17.3C4H4O4.2Sn/c2*1-3-5-7-8-6-4-2;3*5-3(6)1-2-4(7)8;;/h2*1,3-8H2,2H3;3*1-2H,(H,5,6)(H,7,8);;/q;;;;;2*+3/p-6/b;;3*2-1+;;