2,2-bis(hydroxymethyl)butyl 3-sulfanylpropanoate

Systemtic Name: 2,2-bis(hydroxymethyl)butyl 3-sulfanylpropanoate Openeye Name: 2,2-bis(hydroxymethyl)butyl 3-sulfanylpropanoate CAS Name: 3-mercaptopropanoic acid 2,2-bis(hydroxymethyl)butyl ester IUPAC Name: 2,2-bis(hydroxymethyl)butyl 3-sulfanylpropanoate Traditional Name: 3-mercaptopropionic acid 2,2-dimethylolbutyl ester Formula: C9H18O4S MolecularWeight: 222.30182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)COC(=O)CCS

Isomeric SMILES

CCC(CO)(CO)COC(=O)CCS

InChI

InChI=1S/C9H18O4S/c1-2-9(5-10,6-11)7-13-8(12)3-4-14/h10-11,14H,2-7H2,1H3