3-methoxy-7-[5-methoxy-4-sulfinatoperoxy-6-(sulfinatoperoxymethyl)-3-sulfonatooxy-oxan-2-yl]oxy-2,7-dimethyl-4-oxabicyclo[4.1.0]heptane-5-carboxylate

Systemtic Name: 3-methoxy-7-[5-methoxy-4-sulfinatoperoxy-6-(sulfinatoperoxymethyl)-3-sulfonatooxy-oxan-2-yl]oxy-2,7-dimethyl-4-oxabicyclo[4.1.0]heptane-5-carboxylate Openeye Name: 3-methoxy-7-[5-methoxy-4-sulfinatoperoxy-6-(sulfinatoperoxymethyl)-3-sulfonatooxy-tetrahydropyran-2-yl]oxy-2,7-dimethyl-4-oxabicyclo[4.1.0]heptane-5-carboxylate CAS Name: 3-methoxy-7-[[5-methoxy-4-sulfinatodioxy-6-(sulfinatodioxymethyl)-3-sulfonatooxy-2-oxanyl]oxy]-2,7-dimethyl-4-oxabicyclo[4.1.0]heptane-5-carboxylate IUPAC Name: 3-methoxy-7-[5-methoxy-4-sulfinatoperoxy-6-(sulfinatoperoxymethyl)-3-sulfonatooxyoxan-2-yl]oxy-2,7-dimethyl-4-oxabicyclo[4.1.0]heptane-5-carboxylate Traditional Name: 3-methoxy-7-[5-methoxy-3-sulfato-4-sulfinatoperoxy-6-(sulfinatoperoxymethyl)tetrahydropyran-2-yl]oxy-2,7-dimethyl-4-oxabicyclo[4.1.0]heptane-5-carboxylate Formula: C17H24O19S3-4 MolecularWeight: 628.55606

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C2(C)OC3C(C(C(C(O3)COOS(=O)[O-])OC)OOS(=O)[O-])OS(=O)(=O)[O-])C(OC1OC)C(=O)[O-]

Isomeric SMILES

CC1C2C(C2(C)OC3C(C(C(C(O3)COOS(=O)[O-])OC)OOS(=O)[O-])OS(=O)(=O)[O-])C(OC1OC)C(=O)[O-]

InChI

InChI=1S/C17H28O19S3/c1-6-8-9(11(14(18)19)31-15(6)28-4)17(8,2)32-16-13(34-39(24,25)26)12(33-36-38(22)23)10(27-3)7(30-16)5-29-35-37(20)21/h6-13,15-16H,5H2,1-4H3,(H,18,19)(H,20,21)(H,22,23)(H,24,25,26)/p-4