2-cyclohexyl-3-sulfanyl-propanoate; octyltin(3+)

Systemtic Name: 2-cyclohexyl-3-sulfanyl-propanoate; octyltin(3+) Openeye Name: 2-cyclohexyl-3-sulfanyl-propanoate; octyltin(3+) CAS Name: 2-cyclohexyl-3-mercaptopropanoate; octyltin(3+) IUPAC Name: 2-cyclohexyl-3-sulfanylpropanoate; octyltin(3+) Traditional Name: 2-cyclohexyl-3-mercapto-propionate; octyltin(3+) Formula: C35H62O6S3Sn MolecularWeight: 793.76818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[Sn+3].C1CCC(CC1)C(CS)C(=O)[O-].C1CCC(CC1)C(CS)C(=O)[O-].C1CCC(CC1)C(CS)C(=O)[O-]

Isomeric SMILES

CCCCCCCC[Sn+3].C1CCC(CC1)C(CS)C(=O)[O-].C1CCC(CC1)C(CS)C(=O)[O-].C1CCC(CC1)C(CS)C(=O)[O-]

InChI

InChI=1S/3C9H16O2S.C8H17.Sn/c3*10-9(11)8(6-12)7-4-2-1-3-5-7;1-3-5-7-8-6-4-2;/h3*7-8,12H,1-6H2,(H,10,11);1,3-8H2,2H3;/q;;;;+3/p-3