2,2-bis(hydroxymethyl)propane-1,3-diol; 2-(1-octoxy-1-oxidanylidene-propan-2-yl)sulfanylpropanoate

Systemtic Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-(1-octoxy-1-oxidanylidene-propan-2-yl)sulfanylpropanoate Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-(1-methyl-2-octoxy-2-oxo-ethyl)sulfanylpropanoate CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-[(1-octoxy-1-oxopropan-2-yl)thio]propanoate IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-(1-octoxy-1-oxopropan-2-yl)sulfanylpropanoate Traditional Name: 2,2-dimethylolpropane-1,3-diol; 2-[(2-keto-1-methyl-2-octoxy-ethyl)thio]propionate Formula: C19H37O8S- MolecularWeight: 425.55728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(C)SC(C)C(=O)[O-].C(C(CO)(CO)CO)O

Isomeric SMILES

CCCCCCCCOC(=O)C(C)SC(C)C(=O)[O-].C(C(CO)(CO)CO)O

InChI

InChI=1S/C14H26O4S.C5H12O4/c1-4-5-6-7-8-9-10-18-14(17)12(3)19-11(2)13(15)16;6-1-5(2-7,3-8)4-9/h11-12H,4-10H2,1-3H3,(H,15,16);6-9H,1-4H2/p-1