(3-methoxy-2-methyl-3-oxidanylidene-propyl)tin(3+); 2-sulfanyldecanoate

Systemtic Name: (3-methoxy-2-methyl-3-oxidanylidene-propyl)tin(3+); 2-sulfanyldecanoate Openeye Name: (3-methoxy-2-methyl-3-oxo-propyl)tin(3+); 2-sulfanyldecanoate CAS Name: 2-mercaptodecanoate; (3-methoxy-2-methyl-3-oxopropyl)tin(3+) IUPAC Name: (3-methoxy-2-methyl-3-oxopropyl)tin(3+); 2-sulfanyldecanoate Traditional Name: (3-keto-3-methoxy-2-methyl-propyl)tin(3+); 2-mercaptocaprate Formula: C35H66O8S3Sn MolecularWeight: 829.79874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)[O-])S.CCCCCCCCC(C(=O)[O-])S.CCCCCCCCC(C(=O)[O-])S.CC(C[Sn+3])C(=O)OC

Isomeric SMILES

CCCCCCCCC(C(=O)[O-])S.CCCCCCCCC(C(=O)[O-])S.CCCCCCCCC(C(=O)[O-])S.CC(C[Sn+3])C(=O)OC

InChI

InChI=1S/3C10H20O2S.C5H9O2.Sn/c3*1-2-3-4-5-6-7-8-9(13)10(11)12;1-4(2)5(6)7-3;/h3*9,13H,2-8H2,1H3,(H,11,12);4H,1H2,2-3H3;/q;;;;+3/p-3