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

Systemtic Name: (3S)-3-[(2R)-4,6-dimethyl-2-(4-methylphenyl)-3-oxidanylidene-1-benzofuran-2-yl]-3-phenyl-propanal Openeye Name: (3S)-3-[(2R)-4,6-dimethyl-3-oxo-2-(p-tolyl)benzofuran-2-yl]-3-phenyl-propanal CAS Name: (3S)-3-[(2R)-4,6-dimethyl-2-(4-methylphenyl)-3-oxo-2-benzofuranyl]-3-phenylpropanal IUPAC Name: (3S)-3-[(2R)-4,6-dimethyl-2-(4-methylphenyl)-3-oxo-1-benzofuran-2-yl]-3-phenylpropanal Traditional Name: (3S)-3-[(2R)-3-keto-4,6-dimethyl-2-(p-tolyl)coumaran-2-yl]-3-phenyl-propionaldehyde Formula: C26H24O3 MolecularWeight: 384.46696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(C(=O)C3=C(C=C(C=C3O2)C)C)C(CC=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)[C@@]2(C(=O)C3=C(C=C(C=C3O2)C)C)[C@@H](CC=O)C4=CC=CC=C4

InChI

InChI=1S/C26H24O3/c1-17-9-11-21(12-10-17)26(22(13-14-27)20-7-5-4-6-8-20)25(28)24-19(3)15-18(2)16-23(24)29-26/h4-12,14-16,22H,13H2,1-3H3/t22-,26-/m0/s1