(E)-3-[(2S)-6-oxidanyl-2-(2-oxidanylpropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[(2S)-6-oxidanyl-2-(2-oxidanylpropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid Openeye Name: (E)-3-[(2S)-6-hydroxy-2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrobenzofuran-5-yl]prop-2-enoic acid CAS Name: (E)-3-[(2S)-6-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrobenzofuran-5-yl]-2-propenoic acid IUPAC Name: (E)-3-[(2S)-6-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[(2S)-6-hydroxy-2-(1-hydroxy-1-methyl-ethyl)coumaran-5-yl]acrylic acid Formula: C14H16O5 MolecularWeight: 264.27384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CC2=C(O1)C=C(C(=C2)C=CC(=O)O)O)O

Isomeric SMILES

CC(C)([C@@H]1CC2=C(O1)C=C(C(=C2)/C=C/C(=O)O)O)O

InChI

InChI=1S/C14H16O5/c1-14(2,18)12-6-9-5-8(3-4-13(16)17)10(15)7-11(9)19-12/h3-5,7,12,15,18H,6H2,1-2H3,(H,16,17)/b4-3+/t12-/m0/s1