methyl 2-methyl-5-(3-phenylsulfanylpropyl)-1,3-dioxane-2-carboxylate

Systemtic Name: methyl 2-methyl-5-(3-phenylsulfanylpropyl)-1,3-dioxane-2-carboxylate Openeye Name: methyl 2-methyl-5-(3-phenylsulfanylpropyl)-1,3-dioxane-2-carboxylate CAS Name: 2-methyl-5-[3-(phenylthio)propyl]-1,3-dioxane-2-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-(3-phenylsulfanylpropyl)-1,3-dioxane-2-carboxylate Traditional Name: 2-methyl-5-[3-(phenylthio)propyl]-1,3-dioxane-2-carboxylic acid methyl ester Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O4S/c1-16(15(17)18-2)19-11-13(12-20-16)7-6-10-21-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3