methyl (2R,3aR,7R,7aS)-7-acetyloxy-2-phenyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl (2R,3aR,7R,7aS)-7-acetyloxy-2-phenyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Openeye Name: methyl (2R,3aR,7R,7aS)-7-acetoxy-2-phenyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate CAS Name: (2R,3aR,7R,7aS)-7-acetyloxy-2-phenyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl (2R,3aR,7R,7aS)-7-acetyloxy-2-phenyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Traditional Name: (2R,3aR,7R,7aS)-7-acetoxy-2-phenyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester Formula: C17H18O6 MolecularWeight: 318.32122

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(=CC2C1OC(O2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)O[C@@H]1CC(=C[C@@H]2[C@H]1O[C@@H](O2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C17H18O6/c1-10(18)21-13-8-12(16(19)20-2)9-14-15(13)23-17(22-14)11-6-4-3-5-7-11/h3-7,9,13-15,17H,8H2,1-2H3/t13-,14-,15+,17-/m1/s1