(3-butoxy-3-oxidanylidene-propyl)tin(3+); 2-methyl-2-sulfanyl-icosanoate

Systemtic Name: (3-butoxy-3-oxidanylidene-propyl)tin(3+); 2-methyl-2-sulfanyl-icosanoate Openeye Name: (3-butoxy-3-oxo-propyl)tin(3+); 2-methyl-2-sulfanyl-icosanoate CAS Name: (3-butoxy-3-oxopropyl)tin(3+); 2-mercapto-2-methyleicosanoate IUPAC Name: (3-butoxy-3-oxopropyl)tin(3+); 2-methyl-2-sulfanylicosanoate Traditional Name: (3-butoxy-3-keto-propyl)tin(3+); 2-mercapto-2-methyl-arachidate Formula: C70H136O8S3Sn MolecularWeight: 1320.72904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C)(C(=O)[O-])S.CCCCCCCCCCCCCCCCCCC(C)(C(=O)[O-])S.CCCCCCCCCCCCCCCCCCC(C)(C(=O)[O-])S.CCCCOC(=O)CC[Sn+3]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C)(C(=O)[O-])S.CCCCCCCCCCCCCCCCCCC(C)(C(=O)[O-])S.CCCCCCCCCCCCCCCCCCC(C)(C(=O)[O-])S.CCCCOC(=O)CC[Sn+3]

InChI

InChI=1S/3C21H42O2S.C7H13O2.Sn/c3*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2,24)20(22)23;1-3-5-6-9-7(8)4-2;/h3*24H,3-19H2,1-2H3,(H,22,23);2-6H2,1H3;/q;;;;+3/p-3