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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C11H22O2S.C4H7O2.Sn/c3*1-4-6-7-9(5-2)8-11(3,14)10(12)13;1-3-4(5)6-2;/h3*9,14H,4-8H2,1-3H3,(H,12,13);1,3H2,2H3;/q;;;;+3/p-3