ethyl(methoxycarbonyl)tin(2+); 4-ethyl-2-sulfanyl-octanoate

Systemtic Name: ethyl(methoxycarbonyl)tin(2+); 4-ethyl-2-sulfanyl-octanoate Openeye Name: ethyl(methoxycarbonyl)tin(2+); 4-ethyl-2-sulfanyl-octanoate CAS Name: 4-ethyl-2-mercaptooctanoate; ethyl(methoxycarbonyl)tin(2+) IUPAC Name: ethyl(methoxycarbonyl)tin(2+); 4-ethyl-2-sulfanyloctanoate Traditional Name: carbomethoxy(ethyl)tin(2+); 4-ethyl-2-mercapto-caprylate Formula: C34H65O8S3Sn- MolecularWeight: 816.7801

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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.CC[Sn+2]C(=O)OC

Isomeric SMILES

CCCCC(CC)CC(C(=O)[O-])S.CCCCC(CC)CC(C(=O)[O-])S.CCCCC(CC)CC(C(=O)[O-])S.CC[Sn+2]C(=O)OC

InChI

InChI=1S/3C10H20O2S.C2H3O2.C2H5.Sn/c3*1-3-5-6-8(4-2)7-9(13)10(11)12;1-4-2-3;1-2;/h3*8-9,13H,3-7H2,1-2H3,(H,11,12);1H3;1H2,2H3;/q;;;;;+2/p-3