7-(6-ethyl-5-methoxy-4-sulfinoperoxy-3-sulfooxy-oxan-2-yl)oxy-3-methoxy-2,7-dimethyl-4-oxabicyclo[4.1.0]heptane-5-carboxylic acid

Systemtic Name: 7-(6-ethyl-5-methoxy-4-sulfinoperoxy-3-sulfooxy-oxan-2-yl)oxy-3-methoxy-2,7-dimethyl-4-oxabicyclo[4.1.0]heptane-5-carboxylic acid Openeye Name: 7-(6-ethyl-5-methoxy-4-sulfinoperoxy-3-sulfooxy-tetrahydropyran-2-yl)oxy-3-methoxy-2,7-dimethyl-4-oxabicyclo[4.1.0]heptane-5-carboxylic acid CAS Name: 7-[(6-ethyl-5-methoxy-4-sulfinodioxy-3-sulfooxy-2-oxanyl)oxy]-3-methoxy-2,7-dimethyl-4-oxabicyclo[4.1.0]heptane-5-carboxylic acid IUPAC Name: 7-(6-ethyl-5-methoxy-4-sulfinoperoxy-3-sulfooxyoxan-2-yl)oxy-3-methoxy-2,7-dimethyl-4-oxabicyclo[4.1.0]heptane-5-carboxylic acid Traditional Name: 7-(6-ethyl-5-methoxy-4-sulfinoperoxy-3-sulfoxy-tetrahydropyran-2-yl)oxy-3-methoxy-2,7-dimethyl-4-oxabicyclo[4.1.0]heptane-5-carboxylic acid Formula: C18H30O15S2 MolecularWeight: 550.5518

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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)