methyl 4-[3-(1,3-dioxolan-2-yl)-3-sulfanyl-propyl]benzoate

Systemtic Name: methyl 4-[3-(1,3-dioxolan-2-yl)-3-sulfanyl-propyl]benzoate Openeye Name: methyl 4-[3-(1,3-dioxolan-2-yl)-3-sulfanyl-propyl]benzoate CAS Name: 4-[3-(1,3-dioxolan-2-yl)-3-mercaptopropyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1,3-dioxolan-2-yl)-3-sulfanylpropyl]benzoate Traditional Name: 4-[3-(1,3-dioxolan-2-yl)-3-mercapto-propyl]benzoic acid methyl ester Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCC(C2OCCO2)S

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCC(C2OCCO2)S

InChI

InChI=1S/C14H18O4S/c1-16-13(15)11-5-2-10(3-6-11)4-7-12(19)14-17-8-9-18-14/h2-3,5-6,12,14,19H,4,7-9H2,1H3