2-[4-(1,3-dithian-2-yl)phenyl]propanoic acid

Systemtic Name: 2-[4-(1,3-dithian-2-yl)phenyl]propanoic acid Openeye Name: 2-[4-(1,3-dithian-2-yl)phenyl]propanoic acid CAS Name: 2-[4-(1,3-dithian-2-yl)phenyl]propanoic acid IUPAC Name: 2-[4-(1,3-dithian-2-yl)phenyl]propanoic acid Traditional Name: 2-[4-(1,3-dithian-2-yl)phenyl]propionic acid Formula: C13H16O2S2 MolecularWeight: 268.39494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O2S2/c1-9(12(14)15)10-3-5-11(6-4-10)13-16-7-2-8-17-13/h3-6,9,13H,2,7-8H2,1H3,(H,14,15)