7-(6-ethyl-5-methoxy-4-sulfinatoperoxy-3-sulfonatooxy-oxan-2-yl)oxy-3-methoxy-7-methyl-2-sulfonatooxy-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-7-methyl-2-sulfonatooxy-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-7-methyl-2-sulfonatooxy-4-oxabicyclo[4.1.0]heptane-5-carboxylate CAS Name: 7-[(6-ethyl-5-methoxy-4-sulfinatodioxy-3-sulfonatooxy-2-oxanyl)oxy]-3-methoxy-7-methyl-2-sulfonatooxy-4-oxabicyclo[4.1.0]heptane-5-carboxylate IUPAC Name: 7-(6-ethyl-5-methoxy-4-sulfinatoperoxy-3-sulfonatooxyoxan-2-yl)oxy-3-methoxy-7-methyl-2-sulfonatooxy-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-7-methyl-2-sulfato-4-oxabicyclo[4.1.0]heptane-5-carboxylate Formula: C17H24O19S3-4 MolecularWeight: 628.55606

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(O1)OC2(C3C2C(OC(C3OS(=O)(=O)[O-])OC)C(=O)[O-])C)OS(=O)(=O)[O-])OOS(=O)[O-])OC

Isomeric SMILES

CCC1C(C(C(C(O1)OC2(C3C2C(OC(C3OS(=O)(=O)[O-])OC)C(=O)[O-])C)OS(=O)(=O)[O-])OOS(=O)[O-])OC

InChI

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