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

Systemtic Name: 4-ethyl-2-sulfanyl-octanoate; methyltin(3+) Openeye Name: 4-ethyl-2-sulfanyl-octanoate; methyltin(3+) CAS Name: 4-ethyl-2-mercaptooctanoate; methyltin(3+) IUPAC Name: 4-ethyl-2-sulfanyloctanoate; methyltin(3+) Traditional Name: 4-ethyl-2-mercapto-caprylate; methyltin(3+) Formula: C31H60O6S3Sn MolecularWeight: 743.7095

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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.C[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.C[Sn+3]

InChI

InChI=1S/3C10H20O2S.CH3.Sn/c3*1-3-5-6-8(4-2)7-9(13)10(11)12;;/h3*8-9,13H,3-7H2,1-2H3,(H,11,12);1H3;/q;;;;+3/p-3