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

Systemtic Name: 2-cyclohexyl-2-sulfanyl-ethanoate; octyltin(3+) Openeye Name: 2-cyclohexyl-2-sulfanyl-acetate; octyltin(3+) CAS Name: 2-cyclohexyl-2-mercaptoacetate; octyltin(3+) IUPAC Name: 2-cyclohexyl-2-sulfanylacetate; octyltin(3+) Traditional Name: 2-cyclohexyl-2-mercapto-acetate; octyltin(3+) Formula: C32H56O6S3Sn MolecularWeight: 751.68844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C8H14O2S.C8H17.Sn/c3*9-8(10)7(11)6-4-2-1-3-5-6;1-3-5-7-8-6-4-2;/h3*6-7,11H,1-5H2,(H,9,10);1,3-8H2,2H3;/q;;;;+3/p-3