ethyl (2S,3S)-3-oxidanyl-4-oxidanylidene-2-phenyl-2,5,6,7-tetrahydro-1-benzofuran-3-carboxylate

Systemtic Name: ethyl (2S,3S)-3-oxidanyl-4-oxidanylidene-2-phenyl-2,5,6,7-tetrahydro-1-benzofuran-3-carboxylate Openeye Name: ethyl (2S,3S)-3-hydroxy-4-oxo-2-phenyl-2,5,6,7-tetrahydrobenzofuran-3-carboxylate CAS Name: (2S,3S)-3-hydroxy-4-oxo-2-phenyl-2,5,6,7-tetrahydrobenzofuran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-hydroxy-4-oxo-2-phenyl-2,5,6,7-tetrahydro-1-benzofuran-3-carboxylate Traditional Name: (2S,3S)-3-hydroxy-4-keto-2-phenyl-2,5,6,7-tetrahydrobenzofuran-3-carboxylic acid ethyl ester Formula: C17H18O5 MolecularWeight: 302.32182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(OC2=C1C(=O)CCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)[C@]1([C@@H](OC2=C1C(=O)CCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C17H18O5/c1-2-21-16(19)17(20)14-12(18)9-6-10-13(14)22-15(17)11-7-4-3-5-8-11/h3-5,7-8,15,20H,2,6,9-10H2,1H3/t15-,17-/m0/s1