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

Systemtic Name: 7-(6-ethyl-5-methoxy-4-sulfinatoperoxy-3-sulfonatooxy-oxan-2-yl)oxy-3-methoxy-2,7-dimethyl-4-oxabicyclo[4.1.0]heptane-5-carboxylate Openeye Name: 7-(6-ethyl-5-methoxy-4-sulfinatoperoxy-3-sulfonatooxy-tetrahydropyran-2-yl)oxy-3-methoxy-2,7-dimethyl-4-oxabicyclo[4.1.0]heptane-5-carboxylate CAS Name: 7-[(6-ethyl-5-methoxy-4-sulfinatodioxy-3-sulfonatooxy-2-oxanyl)oxy]-3-methoxy-2,7-dimethyl-4-oxabicyclo[4.1.0]heptane-5-carboxylate IUPAC Name: 7-(6-ethyl-5-methoxy-4-sulfinatoperoxy-3-sulfonatooxyoxan-2-yl)oxy-3-methoxy-2,7-dimethyl-4-oxabicyclo[4.1.0]heptane-5-carboxylate Traditional Name: 7-(6-ethyl-5-methoxy-3-sulfato-4-sulfinatoperoxy-tetrahydropyran-2-yl)oxy-3-methoxy-2,7-dimethyl-4-oxabicyclo[4.1.0]heptane-5-carboxylate Formula: C18H27O15S2-3 MolecularWeight: 547.52798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(O1)OC2(C3C2C(OC(C3C)OC)C(=O)[O-])C)OS(=O)(=O)[O-])OOS(=O)[O-])OC

Isomeric SMILES

CCC1C(C(C(C(O1)OC2(C3C2C(OC(C3C)OC)C(=O)[O-])C)OS(=O)(=O)[O-])OOS(=O)[O-])OC

InChI

InChI=1S/C18H30O15S2/c1-6-8-11(26-4)13(31-33-34(21)22)14(32-35(23,24)25)17(28-8)30-18(3)9-7(2)16(27-5)29-12(10(9)18)15(19)20/h7-14,16-17H,6H2,1-5H3,(H,19,20)(H,21,22)(H,23,24,25)/p-3