(3-butoxy-3-oxidanylidene-propyl)tin(3+); 4-ethyl-2-sulfanyl-octanoate

Systemtic Name: (3-butoxy-3-oxidanylidene-propyl)tin(3+); 4-ethyl-2-sulfanyl-octanoate Openeye Name: (3-butoxy-3-oxo-propyl)tin(3+); 4-ethyl-2-sulfanyl-octanoate CAS Name: (3-butoxy-3-oxopropyl)tin(3+); 4-ethyl-2-mercaptooctanoate IUPAC Name: (3-butoxy-3-oxopropyl)tin(3+); 4-ethyl-2-sulfanyloctanoate Traditional Name: (3-butoxy-3-keto-propyl)tin(3+); 4-ethyl-2-mercapto-caprylate Formula: C37H70O8S3Sn MolecularWeight: 857.8519

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C10H20O2S.C7H13O2.Sn/c3*1-3-5-6-8(4-2)7-9(13)10(11)12;1-3-5-6-9-7(8)4-2;/h3*8-9,13H,3-7H2,1-2H3,(H,11,12);2-6H2,1H3;/q;;;;+3/p-3