2,2-bis(2-sulfanylethyl)nonanedioate; butyltin(3+)

Systemtic Name: 2,2-bis(2-sulfanylethyl)nonanedioate; butyltin(3+) Openeye Name: 2,2-bis(2-sulfanylethyl)nonanedioate; butyltin(3+) CAS Name: 2,2-bis(2-mercaptoethyl)nonanedioate; butyltin(3+) IUPAC Name: 2,2-bis(2-sulfanylethyl)nonanedioate; butyltin(3+) Traditional Name: 2,2-bis(2-mercaptoethyl)azelaate; butyltin(3+) Formula: C47H84O12S6Sn2 MolecularWeight: 1270.97266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C13H24O4S2.2C4H9.2Sn/c3*14-11(15)5-3-1-2-4-6-13(7-9-18,8-10-19)12(16)17;2*1-3-4-2;;/h3*18-19H,1-10H2,(H,14,15)(H,16,17);2*1,3-4H2,2H3;;/q;;;;;2*+3/p-6