(3S)-3-[(1S)-1-oxidanyl-3-oxidanylidene-2-benzofuran-1-yl]-3-phenyl-propanoic acid

Systemtic Name: (3S)-3-[(1S)-1-oxidanyl-3-oxidanylidene-2-benzofuran-1-yl]-3-phenyl-propanoic acid Openeye Name: (3S)-3-[(1S)-1-hydroxy-3-oxo-isobenzofuran-1-yl]-3-phenyl-propanoic acid CAS Name: (3S)-3-[(1S)-1-hydroxy-3-oxo-1-isobenzofuranyl]-3-phenylpropanoic acid IUPAC Name: (3S)-3-[(1S)-1-hydroxy-3-oxo-2-benzofuran-1-yl]-3-phenylpropanoic acid Traditional Name: (3S)-3-[(1S)-1-hydroxy-3-keto-phthalan-1-yl]-3-phenyl-propionic acid Formula: C17H14O5 MolecularWeight: 298.29006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)C2(C3=CC=CC=C3C(=O)O2)O

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)O)[C@]2(C3=CC=CC=C3C(=O)O2)O

InChI

InChI=1S/C17H14O5/c18-15(19)10-14(11-6-2-1-3-7-11)17(21)13-9-5-4-8-12(13)16(20)22-17/h1-9,14,21H,10H2,(H,18,19)/t14-,17+/m0/s1