(4R,5S)-7-(2-methyl-1,3-benzodioxol-2-yl)-4,5-bis(oxidanyl)heptan-3-one

Systemtic Name: (4R,5S)-7-(2-methyl-1,3-benzodioxol-2-yl)-4,5-bis(oxidanyl)heptan-3-one Openeye Name: (4R,5S)-4,5-dihydroxy-7-(2-methyl-1,3-benzodioxol-2-yl)heptan-3-one CAS Name: (4R,5S)-4,5-dihydroxy-7-(2-methyl-1,3-benzodioxol-2-yl)-3-heptanone IUPAC Name: (4R,5S)-4,5-dihydroxy-7-(2-methyl-1,3-benzodioxol-2-yl)heptan-3-one Traditional Name: (4R,5S)-4,5-dihydroxy-7-(2-methyl-1,3-benzodioxol-2-yl)heptan-3-one Formula: C15H20O5 MolecularWeight: 280.3163

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(CCC1(OC2=CC=CC=C2O1)C)O)O

Isomeric SMILES

CCC(=O)[C@@H]([C@H](CCC1(OC2=CC=CC=C2O1)C)O)O

InChI

InChI=1S/C15H20O5/c1-3-10(16)14(18)11(17)8-9-15(2)19-12-6-4-5-7-13(12)20-15/h4-7,11,14,17-18H,3,8-9H2,1-2H3/t11-,14-/m0/s1