ethyl 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: ethyl 4-(1,3-dithian-2-yl)benzoate Openeye Name: ethyl 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid ethyl ester Formula: C13H16O2S2 MolecularWeight: 268.39494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O2S2/c1-2-15-12(14)10-4-6-11(7-5-10)13-16-8-3-9-17-13/h4-7,13H,2-3,8-9H2,1H3