(3-methoxy-3-oxidanylidene-propyl)tin(3+); 2-(2-sulfanylethyl)octanoate

Systemtic Name: (3-methoxy-3-oxidanylidene-propyl)tin(3+); 2-(2-sulfanylethyl)octanoate Openeye Name: (3-methoxy-3-oxo-propyl)tin(3+); 2-(2-sulfanylethyl)octanoate CAS Name: 2-(2-mercaptoethyl)octanoate; (3-methoxy-3-oxopropyl)tin(3+) IUPAC Name: (3-methoxy-3-oxopropyl)tin(3+); 2-(2-sulfanylethyl)octanoate Traditional Name: (3-keto-3-methoxy-propyl)tin(3+); 2-(2-mercaptoethyl)caprylate Formula: C24H45O6S2Sn+ MolecularWeight: 612.4505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCS)C(=O)[O-].CCCCCCC(CCS)C(=O)[O-].COC(=O)CC[Sn+3]

Isomeric SMILES

CCCCCCC(CCS)C(=O)[O-].CCCCCCC(CCS)C(=O)[O-].COC(=O)CC[Sn+3]

InChI

InChI=1S/2C10H20O2S.C4H7O2.Sn/c2*1-2-3-4-5-6-9(7-8-13)10(11)12;1-3-4(5)6-2;/h2*9,13H,2-8H2,1H3,(H,11,12);1,3H2,2H3;/q;;;+3/p-2