methyl 4-[1,3-dithian-2-yl(oxidanyl)methyl]benzoate

Systemtic Name: methyl 4-[1,3-dithian-2-yl(oxidanyl)methyl]benzoate Openeye Name: methyl 4-[1,3-dithian-2-yl(hydroxy)methyl]benzoate CAS Name: 4-[1,3-dithian-2-yl(hydroxy)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1,3-dithian-2-yl(hydroxy)methyl]benzoate Traditional Name: 4-[1,3-dithian-2-yl(hydroxy)methyl]benzoic acid methyl ester Formula: C13H16O3S2 MolecularWeight: 284.39434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(C2SCCCS2)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(C2SCCCS2)O

InChI

InChI=1S/C13H16O3S2/c1-16-12(15)10-5-3-9(4-6-10)11(14)13-17-7-2-8-18-13/h3-6,11,13-14H,2,7-8H2,1H3