methyl 5-(1,3-dithian-2-yl)-1,3-benzodioxole-4-carboxylate

Systemtic Name: methyl 5-(1,3-dithian-2-yl)-1,3-benzodioxole-4-carboxylate Openeye Name: methyl 5-(1,3-dithian-2-yl)-1,3-benzodioxole-4-carboxylate CAS Name: 5-(1,3-dithian-2-yl)-1,3-benzodioxole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-dithian-2-yl)-1,3-benzodioxole-4-carboxylate Traditional Name: 5-(1,3-dithian-2-yl)-1,3-benzodioxole-4-carboxylic acid methyl ester Formula: C13H14O4S2 MolecularWeight: 298.37786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC2=C1OCO2)C3SCCCS3

Isomeric SMILES

COC(=O)C1=C(C=CC2=C1OCO2)C3SCCCS3

InChI

InChI=1S/C13H14O4S2/c1-15-12(14)10-8(13-18-5-2-6-19-13)3-4-9-11(10)17-7-16-9/h3-4,13H,2,5-7H2,1H3