dibutyltin(2+); 2-ethyl-2-sulfanyl-decanoate; 3-sulfanylpropanoate

Systemtic Name: dibutyltin(2+); 2-ethyl-2-sulfanyl-decanoate; 3-sulfanylpropanoate Openeye Name: dibutyltin(2+); 2-ethyl-2-sulfanyl-decanoate; 3-sulfanylpropanoate CAS Name: dibutyltin(2+); 2-ethyl-2-mercaptodecanoate; 3-mercaptopropanoate IUPAC Name: dibutyltin(2+); 2-ethyl-2-sulfanyldecanoate; 3-sulfanylpropanoate Traditional Name: dibutyltin(2+); 2-ethyl-2-mercapto-caprate; 3-mercaptopropionate Formula: C43H87O6S3Sn2+ MolecularWeight: 1033.76228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC)(C(=O)[O-])S.CCCCCCCCC(CC)(C(=O)[O-])S.CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.C(CS)C(=O)[O-]

Isomeric SMILES

CCCCCCCCC(CC)(C(=O)[O-])S.CCCCCCCCC(CC)(C(=O)[O-])S.CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.C(CS)C(=O)[O-]

InChI

InChI=1S/2C12H24O2S.4C4H9.C3H6O2S.2Sn/c2*1-3-5-6-7-8-9-10-12(15,4-2)11(13)14;4*1-3-4-2;4-3(5)1-2-6;;/h2*15H,3-10H2,1-2H3,(H,13,14);4*1,3-4H2,2H3;6H,1-2H2,(H,4,5);;/q;;;;;;;2*+2/p-3