7-(6-ethyl-5-methoxy-4-sulfinoperoxy-3-sulfooxy-oxan-2-yl)oxy-3-methoxy-7-methyl-2-sulfooxy-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-7-methyl-2-sulfooxy-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-7-methyl-2-sulfooxy-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-7-methyl-2-sulfooxy-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-7-methyl-2-sulfooxy-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-7-methyl-2-sulfoxy-4-oxabicyclo[4.1.0]heptane-5-carboxylic acid Formula: C17H28O19S3 MolecularWeight: 632.58782

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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)