4-butoxy-2-(2-butoxyethyl)-2-sulfanyl-butanoate; butyltin(3+); propane-1,3-diol

Systemtic Name: 4-butoxy-2-(2-butoxyethyl)-2-sulfanyl-butanoate; butyltin(3+); propane-1,3-diol Openeye Name: 4-butoxy-2-(2-butoxyethyl)-2-sulfanyl-butanoate; butyltin(3+); propane-1,3-diol CAS Name: 4-butoxy-2-(2-butoxyethyl)-2-mercaptobutanoate; butyltin(3+); propane-1,3-diol IUPAC Name: 4-butoxy-2-(2-butoxyethyl)-2-sulfanylbutanoate; butyltin(3+); propane-1,3-diol Traditional Name: 4-butoxy-2-(2-butoxyethyl)-2-mercapto-butyrate; butyltin(3+); propane-1,3-diol Formula: C95H188O26S6Sn2 MolecularWeight: 2176.30362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCC(CCOCCCC)(C(=O)[O-])S.CCCCOCCC(CCOCCCC)(C(=O)[O-])S.CCCCOCCC(CCOCCCC)(C(=O)[O-])S.CCCCOCCC(CCOCCCC)(C(=O)[O-])S.CCCCOCCC(CCOCCCC)(C(=O)[O-])S.CCCCOCCC(CCOCCCC)(C(=O)[O-])S.CCCC[Sn+3].CCCC[Sn+3].C(CO)CO

Isomeric SMILES

CCCCOCCC(CCOCCCC)(C(=O)[O-])S.CCCCOCCC(CCOCCCC)(C(=O)[O-])S.CCCCOCCC(CCOCCCC)(C(=O)[O-])S.CCCCOCCC(CCOCCCC)(C(=O)[O-])S.CCCCOCCC(CCOCCCC)(C(=O)[O-])S.CCCCOCCC(CCOCCCC)(C(=O)[O-])S.CCCC[Sn+3].CCCC[Sn+3].C(CO)CO

InChI

InChI=1S/6C14H28O4S.2C4H9.C3H8O2.2Sn/c6*1-3-5-9-17-11-7-14(19,13(15)16)8-12-18-10-6-4-2;2*1-3-4-2;4-2-1-3-5;;/h6*19H,3-12H2,1-2H3,(H,15,16);2*1,3-4H2,2H3;4-5H,1-3H2;;/q;;;;;;;;;2*+3/p-6