2-methyl-5-(3-phenylsulfanylpropyl)-1,3-dioxane-2-carboxylic acid

Systemtic Name: 2-methyl-5-(3-phenylsulfanylpropyl)-1,3-dioxane-2-carboxylic acid Openeye Name: 2-methyl-5-(3-phenylsulfanylpropyl)-1,3-dioxane-2-carboxylic acid CAS Name: 2-methyl-5-[3-(phenylthio)propyl]-1,3-dioxane-2-carboxylic acid IUPAC Name: 2-methyl-5-(3-phenylsulfanylpropyl)-1,3-dioxane-2-carboxylic acid Traditional Name: 2-methyl-5-[3-(phenylthio)propyl]-1,3-dioxane-2-carboxylic acid Formula: C15H20O4S MolecularWeight: 296.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CCCSC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1(OCC(CO1)CCCSC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H20O4S/c1-15(14(16)17)18-10-12(11-19-15)6-5-9-20-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,16,17)