4-oxidanylidenepentyltin(3+); (E)-2-(2-sulfanylethyl)octadec-9-enoate; disulfide

Systemtic Name: 4-oxidanylidenepentyltin(3+); (E)-2-(2-sulfanylethyl)octadec-9-enoate; disulfide Openeye Name: 4-oxopentyltin(3+); (E)-2-(2-sulfanylethyl)octadec-9-enoate; disulfide CAS Name: (E)-2-(2-mercaptoethyl)-9-octadecenoate; 4-oxopentyltin(3+); disulfide IUPAC Name: 4-oxopentyltin(3+); (E)-2-(2-sulfanylethyl)octadec-9-enoate; disulfide Traditional Name: 4-ketopentyltin(3+); (E)-2-(2-mercaptoethyl)octadec-9-enoate; disulfide Formula: C90H166O10S6Sn2-2 MolecularWeight: 1838.08504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC(CCS)C(=O)[O-].CCCCCCCCC=CCCCCCCC(CCS)C(=O)[O-].CCCCCCCCC=CCCCCCCC(CCS)C(=O)[O-].CCCCCCCCC=CCCCCCCC(CCS)C(=O)[O-].CC(=O)CCC[Sn+3].CC(=O)CCC[Sn+3].[S-2].[S-2]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCC(C(=O)[O-])CCS.CCCCCCCC/C=C/CCCCCCC(C(=O)[O-])CCS.CCCCCCCC/C=C/CCCCCCC(C(=O)[O-])CCS.CCCCCCCC/C=C/CCCCCCC(C(=O)[O-])CCS.CC(=O)CCC[Sn+3].CC(=O)CCC[Sn+3].[S-2].[S-2]

InChI

InChI=1S/4C20H38O2S.2C5H9O.2S.2Sn/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(17-18-23)20(21)22;2*1-3-4-5(2)6;;;;/h4*9-10,19,23H,2-8,11-18H2,1H3,(H,21,22);2*1,3-4H2,2H3;;;;/q;;;;;;2*-2;2*+3/p-4/b4*10-9+;;;;;;