octanoate; phenyltin(3+)

Systemtic Name: octanoate; phenyltin(3+) Openeye Name: octanoate; phenyltin(3+) CAS Name: octanoate; phenyltin(3+) IUPAC Name: octanoate; phenyltin(3+) Traditional Name: caprylate; phenyltin(3+) Formula: C30H50O6Sn MolecularWeight: 625.4244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].C1=CC=C(C=C1)[Sn+3]

Isomeric SMILES

CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].C1=CC=C(C=C1)[Sn+3]

InChI

InChI=1S/3C8H16O2.C6H5.Sn/c3*1-2-3-4-5-6-7-8(9)10;1-2-4-6-5-3-1;/h3*2-7H2,1H3,(H,9,10);1-5H;/q;;;;+3/p-3