[2,2-bis(hydroxymethyl)-1-oxidanyl-nonan-3-yl] 3-sulfanylpropanoate

Systemtic Name: [2,2-bis(hydroxymethyl)-1-oxidanyl-nonan-3-yl] 3-sulfanylpropanoate Openeye Name: 1-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]heptyl 3-sulfanylpropanoate CAS Name: 3-mercaptopropanoic acid [1-hydroxy-2,2-bis(hydroxymethyl)nonan-3-yl] ester IUPAC Name: [1-hydroxy-2,2-bis(hydroxymethyl)nonan-3-yl] 3-sulfanylpropanoate Traditional Name: 3-mercaptopropionic acid 1-(2-hydroxy-1,1-dimethylol-ethyl)heptyl ester Formula: C14H28O5S MolecularWeight: 308.43412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CO)(CO)CO)OC(=O)CCS

Isomeric SMILES

CCCCCCC(C(CO)(CO)CO)OC(=O)CCS

InChI

InChI=1S/C14H28O5S/c1-2-3-4-5-6-12(19-13(18)7-8-20)14(9-15,10-16)11-17/h12,15-17,20H,2-11H2,1H3