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

Systemtic Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-(1-hexoxy-1-oxidanylidene-propan-2-yl)sulfanylpropanoate Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-(2-hexoxy-1-methyl-2-oxo-ethyl)sulfanylpropanoate CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-[(1-hexoxy-1-oxopropan-2-yl)thio]propanoate IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-(1-hexoxy-1-oxopropan-2-yl)sulfanylpropanoate Traditional Name: 2,2-dimethylolpropane-1,3-diol; 2-[(2-hexoxy-2-keto-1-methyl-ethyl)thio]propionate Formula: C17H33O8S- MolecularWeight: 397.50412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O4S.C5H12O4/c1-4-5-6-7-8-16-12(15)10(3)17-9(2)11(13)14;6-1-5(2-7,3-8)4-9/h9-10H,4-8H2,1-3H3,(H,13,14);6-9H,1-4H2/p-1