methyl (1R,2S,3R)-2,3-bis(1,3-benzodioxol-5-yl)-5-oxidanylidene-cyclopentane-1-carboxylate

Systemtic Name: methyl (1R,2S,3R)-2,3-bis(1,3-benzodioxol-5-yl)-5-oxidanylidene-cyclopentane-1-carboxylate Openeye Name: methyl (1R,2S,3R)-2,3-bis(1,3-benzodioxol-5-yl)-5-oxo-cyclopentanecarboxylate CAS Name: (1R,2S,3R)-2,3-bis(1,3-benzodioxol-5-yl)-5-oxo-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S,3R)-2,3-bis(1,3-benzodioxol-5-yl)-5-oxocyclopentane-1-carboxylate Traditional Name: (1R,2S,3R)-2,3-bis(1,3-benzodioxol-5-yl)-5-keto-cyclopentanecarboxylic acid methyl ester Formula: C21H18O7 MolecularWeight: 382.36342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(CC1=O)C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)[C@@H]1[C@H]([C@@H](CC1=O)C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H18O7/c1-24-21(23)20-14(22)8-13(11-2-4-15-17(6-11)27-9-25-15)19(20)12-3-5-16-18(7-12)28-10-26-16/h2-7,13,19-20H,8-10H2,1H3/t13-,19-,20-/m0/s1