8-methyl-2-sulfanyl-nonanoic acid; octyltin(3+); 2-oxidanylethanethiolate

Systemtic Name: 8-methyl-2-sulfanyl-nonanoic acid; octyltin(3+); 2-oxidanylethanethiolate Openeye Name: 2-hydroxyethanethiolate; 8-methyl-2-sulfanyl-nonanoic acid; octyltin(3+) CAS Name: 2-hydroxyethanethiolate; 2-mercapto-8-methylnonanoic acid; octyltin(3+) IUPAC Name: 2-hydroxyethanethiolate; 8-methyl-2-sulfanylnonanoic acid; octyltin(3+) Traditional Name: 2-hydroxyethanethiolate; 2-mercapto-8-methyl-pelargonic acid; octyltin(3+) Formula: C22H47O4S3Sn+ MolecularWeight: 590.51118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[Sn+3].CC(C)CCCCCC(C(=O)O)S.C(C[S-])O.C(C[S-])O

Isomeric SMILES

CCCCCCCC[Sn+3].CC(C)CCCCCC(C(=O)O)S.C(C[S-])O.C(C[S-])O

InChI

InChI=1S/C10H20O2S.C8H17.2C2H6OS.Sn/c1-8(2)6-4-3-5-7-9(13)10(11)12;1-3-5-7-8-6-4-2;2*3-1-2-4;/h8-9,13H,3-7H2,1-2H3,(H,11,12);1,3-8H2,2H3;2*3-4H,1-2H2;/q;;;;+3/p-2