butyltin(3+); 16-methylheptadecyl 3-sulfanylpropanoate

Systemtic Name: butyltin(3+); 16-methylheptadecyl 3-sulfanylpropanoate Openeye Name: butyltin(3+); 16-methylheptadecyl 3-sulfanylpropanoate CAS Name: butyltin(3+); 3-mercaptopropanoic acid 16-methylheptadecyl ester IUPAC Name: butyltin(3+); 16-methylheptadecyl 3-sulfanylpropanoate Traditional Name: butyltin(3+); 3-mercaptopropionic acid 16-methylheptadecyl ester Formula: C67H135O6S3Sn+3 MolecularWeight: 1251.6902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn+3].CC(C)CCCCCCCCCCCCCCCOC(=O)CCS.CC(C)CCCCCCCCCCCCCCCOC(=O)CCS.CC(C)CCCCCCCCCCCCCCCOC(=O)CCS

Isomeric SMILES

CCCC[Sn+3].CC(C)CCCCCCCCCCCCCCCOC(=O)CCS.CC(C)CCCCCCCCCCCCCCCOC(=O)CCS.CC(C)CCCCCCCCCCCCCCCOC(=O)CCS

InChI

InChI=1S/3C21H42O2S.C4H9.Sn/c3*1-20(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-18-23-21(22)17-19-24;1-3-4-2;/h3*20,24H,3-19H2,1-2H3;1,3-4H2,2H3;/q;;;;+3