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

Systemtic Name: 2-[4-(1,3-benzoxathiol-2-yl)phenyl]propanoic acid Openeye Name: 2-[4-(1,3-benzoxathiol-2-yl)phenyl]propanoic acid CAS Name: 2-[4-(1,3-benzoxathiol-2-yl)phenyl]propanoic acid IUPAC Name: 2-[4-(1,3-benzoxathiol-2-yl)phenyl]propanoic acid Traditional Name: 2-[4-(1,3-benzoxathiol-2-yl)phenyl]propionic acid Formula: C16H14O3S MolecularWeight: 286.34556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2OC3=CC=CC=C3S2)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)C2OC3=CC=CC=C3S2)C(=O)O

InChI

InChI=1S/C16H14O3S/c1-10(15(17)18)11-6-8-12(9-7-11)16-19-13-4-2-3-5-14(13)20-16/h2-10,16H,1H3,(H,17,18)