(2S,3S)-2-(4-chlorophenyl)carbonyl-3-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one

Systemtic Name: (2S,3S)-2-(4-chlorophenyl)carbonyl-3-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one Openeye Name: (2S,3S)-2-(4-chlorobenzoyl)-3-phenyl-3,5,6,7-tetrahydro-2H-benzofuran-4-one CAS Name: (2S,3S)-2-[(4-chlorophenyl)-oxomethyl]-3-phenyl-3,5,6,7-tetrahydro-2H-benzofuran-4-one IUPAC Name: (2S,3S)-2-(4-chlorobenzoyl)-3-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one Traditional Name: (2S,3S)-2-(4-chlorobenzoyl)-3-phenyl-3,5,6,7-tetrahydro-2H-benzofuran-4-one Formula: C21H17ClO3 MolecularWeight: 352.81088

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(O2)C(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C(=O)C1

Isomeric SMILES

C1CC2=C([C@@H]([C@H](O2)C(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C(=O)C1

InChI

InChI=1S/C21H17ClO3/c22-15-11-9-14(10-12-15)20(24)21-18(13-5-2-1-3-6-13)19-16(23)7-4-8-17(19)25-21/h1-3,5-6,9-12,18,21H,4,7-8H2/t18-,21-/m0/s1