(3aR,7aR)-2-phenacyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: (3aR,7aR)-2-phenacyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: (3aR,7aR)-2-phenacyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: (3aR,7aR)-2-phenacyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: (3aR,7aR)-2-phenacyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: (3aR,7aR)-2-phenacyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C16H17NO3 MolecularWeight: 271.31108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)CC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H17NO3/c18-14(11-6-2-1-3-7-11)10-17-15(19)12-8-4-5-9-13(12)16(17)20/h1-3,6-7,12-13H,4-5,8-10H2/t12-,13-/m1/s1