(3S)-3-[(2R)-4,6-dimethyl-3-oxidanylidene-2-phenyl-1-benzofuran-2-yl]-3-phenyl-propanal

Systemtic Name: (3S)-3-[(2R)-4,6-dimethyl-3-oxidanylidene-2-phenyl-1-benzofuran-2-yl]-3-phenyl-propanal Openeye Name: (3S)-3-[(2R)-4,6-dimethyl-3-oxo-2-phenyl-benzofuran-2-yl]-3-phenyl-propanal CAS Name: (3S)-3-[(2R)-4,6-dimethyl-3-oxo-2-phenyl-2-benzofuranyl]-3-phenylpropanal IUPAC Name: (3S)-3-[(2R)-4,6-dimethyl-3-oxo-2-phenyl-1-benzofuran-2-yl]-3-phenylpropanal Traditional Name: (3S)-3-[(2R)-3-keto-4,6-dimethyl-2-phenyl-coumaran-2-yl]-3-phenyl-propionaldehyde Formula: C25H22O3 MolecularWeight: 370.44038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)OC(C2=O)(C3=CC=CC=C3)C(CC=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)O[C@@](C2=O)(C3=CC=CC=C3)[C@@H](CC=O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H22O3/c1-17-15-18(2)23-22(16-17)28-25(24(23)27,20-11-7-4-8-12-20)21(13-14-26)19-9-5-3-6-10-19/h3-12,14-16,21H,13H2,1-2H3/t21-,25-/m0/s1