3-[2-(2-carboxyethyl)-4-(3-phenoxypropylsulfanylmethyl)-1,3-oxathiolan-2-yl]propanoic acid

Systemtic Name: 3-[2-(2-carboxyethyl)-4-(3-phenoxypropylsulfanylmethyl)-1,3-oxathiolan-2-yl]propanoic acid Openeye Name: 3-[2-(2-carboxyethyl)-4-(3-phenoxypropylsulfanylmethyl)-1,3-oxathiolan-2-yl]propanoic acid CAS Name: 3-[2-(2-carboxyethyl)-4-[(3-phenoxypropylthio)methyl]-1,3-oxathiolan-2-yl]propanoic acid IUPAC Name: 3-[2-(2-carboxyethyl)-4-(3-phenoxypropylsulfanylmethyl)-1,3-oxathiolan-2-yl]propanoic acid Traditional Name: 3-[2-(2-carboxyethyl)-4-[(3-phenoxypropylthio)methyl]-1,3-oxathiolan-2-yl]propionic acid Formula: C19H26O6S2 MolecularWeight: 414.53614

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC(O1)(CCC(=O)O)CCC(=O)O)CSCCCOC2=CC=CC=C2

Isomeric SMILES

C1C(SC(O1)(CCC(=O)O)CCC(=O)O)CSCCCOC2=CC=CC=C2

InChI

InChI=1S/C19H26O6S2/c20-17(21)7-9-19(10-8-18(22)23)25-13-16(27-19)14-26-12-4-11-24-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H,20,21)(H,22,23)