chloranyl(3-oxidanylidenebutyl)tin(2+); (E)-2-(2-sulfanylethyl)octadec-9-enoate; sulfide

Systemtic Name: chloranyl(3-oxidanylidenebutyl)tin(2+); (E)-2-(2-sulfanylethyl)octadec-9-enoate; sulfide Openeye Name: chloro(3-oxobutyl)tin(2+); (E)-2-(2-sulfanylethyl)octadec-9-enoate; sulfide CAS Name: chloro(3-oxobutyl)tin(2+); (E)-2-(2-mercaptoethyl)-9-octadecenoate; sulfide IUPAC Name: chloro(3-oxobutyl)tin(2+); (E)-2-(2-sulfanylethyl)octadec-9-enoate; sulfide Traditional Name: chloro(3-ketobutyl)tin(2+); (E)-2-(2-mercaptoethyl)octadec-9-enoate; sulfide Formula: C44H81ClO5S3Sn-2 MolecularWeight: 940.46894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC(CCS)C(=O)[O-].CCCCCCCCC=CCCCCCCC(CCS)C(=O)[O-].CC(=O)CC[Sn+2]Cl.[S-2]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCC(C(=O)[O-])CCS.CCCCCCCC/C=C/CCCCCCC(C(=O)[O-])CCS.CC(=O)CC[Sn+2]Cl.[S-2]

InChI

InChI=1S/2C20H38O2S.C4H7O.ClH.S.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(17-18-23)20(21)22;1-3-4(2)5;;;/h2*9-10,19,23H,2-8,11-18H2,1H3,(H,21,22);1,3H2,2H3;1H;;/q;;;;-2;+3/p-3/b2*10-9+;;;;