dimethyl (2R,3aS,5R)-2-phenyl-2,5-dihydro-1H-acenaphthylene-3a,5-dicarboxylate

Systemtic Name: dimethyl (2R,3aS,5R)-2-phenyl-2,5-dihydro-1H-acenaphthylene-3a,5-dicarboxylate Openeye Name: dimethyl (2R,3aS,5R)-2-phenyl-2,5-dihydro-1H-acenaphthylene-3a,5-dicarboxylate CAS Name: (2R,3aS,5R)-2-phenyl-2,5-dihydro-1H-acenaphthylene-3a,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2R,3aS,5R)-2-phenyl-2,5-dihydro-1H-acenaphthylene-3a,5-dicarboxylate Traditional Name: (2R,3aS,5R)-2-phenyl-2,5-dihydro-1H-acenaphthylene-3a,5-dicarboxylic acid dimethyl ester Formula: C22H20O4 MolecularWeight: 348.3918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C=CC2(C(CC3=C2C1=CC=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)[C@@H]1C=C[C@@]2([C@H](CC3=C2C1=CC=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H20O4/c1-25-20(23)17-11-12-22(21(24)26-2)18(14-7-4-3-5-8-14)13-15-9-6-10-16(17)19(15)22/h3-12,17-18H,13H2,1-2H3/t17-,18-,22+/m1/s1