butyltin(3+); 4-ethyl-2-sulfanyl-octanoate

Systemtic Name: butyltin(3+); 4-ethyl-2-sulfanyl-octanoate Openeye Name: butyltin(3+); 4-ethyl-2-sulfanyl-octanoate CAS Name: butyltin(3+); 4-ethyl-2-mercaptooctanoate IUPAC Name: butyltin(3+); 4-ethyl-2-sulfanyloctanoate Traditional Name: butyltin(3+); 4-ethyl-2-mercapto-caprylate Formula: C34H66O6S3Sn MolecularWeight: 785.78924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(C(=O)[O-])S.CCCCC(CC)CC(C(=O)[O-])S.CCCCC(CC)CC(C(=O)[O-])S.CCCC[Sn+3]

Isomeric SMILES

CCCCC(CC)CC(C(=O)[O-])S.CCCCC(CC)CC(C(=O)[O-])S.CCCCC(CC)CC(C(=O)[O-])S.CCCC[Sn+3]

InChI

InChI=1S/3C10H20O2S.C4H9.Sn/c3*1-3-5-6-8(4-2)7-9(13)10(11)12;1-3-4-2;/h3*8-9,13H,3-7H2,1-2H3,(H,11,12);1,3-4H2,2H3;/q;;;;+3/p-3