2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 3-(3-oxidanylidenebutanoylsulfanyl)propanoic acid; 3-sulfanylpropanoic acid

Systemtic Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 3-(3-oxidanylidenebutanoylsulfanyl)propanoic acid; 3-sulfanylpropanoic acid Openeye Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 3-(3-oxobutanoylsulfanyl)propanoic acid; 3-sulfanylpropanoic acid CAS Name: 3-(1,3-dioxobutylthio)propanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 3-mercaptopropanoic acid IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 3-(3-oxobutanoylsulfanyl)propanoic acid; 3-sulfanylpropanoic acid Traditional Name: 3-(acetoacetylthio)propionic acid; 2-ethyl-2-methylol-propane-1,3-diol; 3-mercaptopropionic acid Formula: C23H40O13S3 MolecularWeight: 620.7509

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.CC(=O)CC(=O)SCCC(=O)O.CC(=O)CC(=O)SCCC(=O)O.C(CS)C(=O)O

Isomeric SMILES

CCC(CO)(CO)CO.CC(=O)CC(=O)SCCC(=O)O.CC(=O)CC(=O)SCCC(=O)O.C(CS)C(=O)O

InChI

InChI=1S/2C7H10O4S.C6H14O3.C3H6O2S/c2*1-5(8)4-7(11)12-3-2-6(9)10;1-2-6(3-7,4-8)5-9;4-3(5)1-2-6/h2*2-4H2,1H3,(H,9,10);7-9H,2-5H2,1H3;6H,1-2H2,(H,4,5)