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

Systemtic Name: (3S)-3-[(1S)-1-oxidanyl-3-oxidanylidene-2-benzofuran-1-yl]-3-phenyl-propanoate Openeye Name: (3S)-3-[(1S)-1-hydroxy-3-oxo-isobenzofuran-1-yl]-3-phenyl-propanoate CAS Name: (3S)-3-[(1S)-1-hydroxy-3-oxo-1-isobenzofuranyl]-3-phenylpropanoate IUPAC Name: (3S)-3-[(1S)-1-hydroxy-3-oxo-2-benzofuran-1-yl]-3-phenylpropanoate Traditional Name: (3S)-3-[(1S)-1-hydroxy-3-keto-phthalan-1-yl]-3-phenyl-propionate Formula: C17H13O5- MolecularWeight: 297.28212

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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)/p-1/t14-,17+/m0/s1