4-ethyl-2-sulfanyl-octanoate; octyltin(3+)

Systemtic Name: 4-ethyl-2-sulfanyl-octanoate; octyltin(3+) Openeye Name: 4-ethyl-2-sulfanyl-octanoate; octyltin(3+) CAS Name: 4-ethyl-2-mercaptooctanoate; octyltin(3+) IUPAC Name: 4-ethyl-2-sulfanyloctanoate; octyltin(3+) Traditional Name: 4-ethyl-2-mercapto-caprylate; octyltin(3+) Formula: C38H74O6S3Sn MolecularWeight: 841.89556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C10H20O2S.C8H17.Sn/c3*1-3-5-6-8(4-2)7-9(13)10(11)12;1-3-5-7-8-6-4-2;/h3*8-9,13H,3-7H2,1-2H3,(H,11,12);1,3-8H2,2H3;/q;;;;+3/p-3