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

Systemtic Name: methyl (2S,3aR,7R,7aS)-7-oxidanyl-2-phenyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Openeye Name: methyl (2S,3aR,7R,7aS)-7-hydroxy-2-phenyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate CAS Name: (2S,3aR,7R,7aS)-7-hydroxy-2-phenyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl (2S,3aR,7R,7aS)-7-hydroxy-2-phenyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Traditional Name: (2S,3aR,7R,7aS)-7-hydroxy-2-phenyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester Formula: C15H16O5 MolecularWeight: 276.28454

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2C(C(C1)O)OC(O2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)O)O[C@H](O2)C3=CC=CC=C3

InChI

InChI=1S/C15H16O5/c1-18-14(17)10-7-11(16)13-12(8-10)19-15(20-13)9-5-3-2-4-6-9/h2-6,8,11-13,15-16H,7H2,1H3/t11-,12-,13+,15+/m1/s1