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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(CCCC1(OC2=CC=CC=C2O1)C)O)O

Isomeric SMILES

CC(=O)[C@H]([C@@H](CCCC1(OC2=CC=CC=C2O1)C)O)O

InChI

InChI=1S/C15H20O5/c1-10(16)14(18)11(17)6-5-9-15(2)19-12-7-3-4-8-13(12)20-15/h3-4,7-8,11,14,17-18H,5-6,9H2,1-2H3/t11-,14-/m1/s1