(butyldisulfanyl)tin(3+); 8-carboxy-10-sulfanyl-decanoate

Systemtic Name: (butyldisulfanyl)tin(3+); 8-carboxy-10-sulfanyl-decanoate Openeye Name: (butyldisulfanyl)tin(3+); 8-carboxy-10-sulfanyl-decanoate CAS Name: (butyldisulfanyl)tin(3+); 8-carboxy-10-mercaptodecanoate IUPAC Name: (butyldisulfanyl)tin(3+); 8-carboxy-10-sulfanyldecanoate Traditional Name: (butyldisulfanyl)tin(3+); 8-carboxy-10-mercapto-caprate Formula: C74H132O24S10Sn2 MolecularWeight: 1963.89548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSS[Sn+3].CCCCSS[Sn+3].C(CCCC(=O)[O-])CCC(CCS)C(=O)O.C(CCCC(=O)[O-])CCC(CCS)C(=O)O.C(CCCC(=O)[O-])CCC(CCS)C(=O)O.C(CCCC(=O)[O-])CCC(CCS)C(=O)O.C(CCCC(=O)[O-])CCC(CCS)C(=O)O.C(CCCC(=O)[O-])CCC(CCS)C(=O)O

Isomeric SMILES

CCCCSS[Sn+3].CCCCSS[Sn+3].C(CCCC(=O)[O-])CCC(CCS)C(=O)O.C(CCCC(=O)[O-])CCC(CCS)C(=O)O.C(CCCC(=O)[O-])CCC(CCS)C(=O)O.C(CCCC(=O)[O-])CCC(CCS)C(=O)O.C(CCCC(=O)[O-])CCC(CCS)C(=O)O.C(CCCC(=O)[O-])CCC(CCS)C(=O)O

InChI

InChI=1S/6C11H20O4S.2C4H10S2.2Sn/c6*12-10(13)6-4-2-1-3-5-9(7-8-16)11(14)15;2*1-2-3-4-6-5;;/h6*9,16H,1-8H2,(H,12,13)(H,14,15);2*5H,2-4H2,1H3;;/q;;;;;;;;2*+4/p-8