(3S,3aR)-3a,7-dimethyl-3-phenyl-4,5-dihydro-3H-2-benzofuran-1,6-dione

Systemtic Name: (3S,3aR)-3a,7-dimethyl-3-phenyl-4,5-dihydro-3H-2-benzofuran-1,6-dione Openeye Name: (3S,3aR)-3a,7-dimethyl-3-phenyl-4,5-dihydro-3H-isobenzofuran-1,6-dione CAS Name: (3S,3aR)-3a,7-dimethyl-3-phenyl-4,5-dihydro-3H-isobenzofuran-1,6-dione IUPAC Name: (3S,3aR)-3a,7-dimethyl-3-phenyl-4,5-dihydro-3H-2-benzofuran-1,6-dione Traditional Name: (3S,3aR)-3a,7-dimethyl-3-phenyl-4,5-dihydro-3H-isobenzofuran-1,6-quinone Formula: C16H16O3 MolecularWeight: 256.29644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=O)OC(C2(CCC1=O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=O)O[C@H]([C@@]2(CCC1=O)C)C3=CC=CC=C3

InChI

InChI=1S/C16H16O3/c1-10-12(17)8-9-16(2)13(10)15(18)19-14(16)11-6-4-3-5-7-11/h3-7,14H,8-9H2,1-2H3/t14-,16+/m0/s1