7,7-dimethyl-5-methylsulfonyl-1,5,6-tris(oxidanyl)bicyclo[4.1.0]hept-2-ene-3-carboxylic acid

Systemtic Name: 7,7-dimethyl-5-methylsulfonyl-1,5,6-tris(oxidanyl)bicyclo[4.1.0]hept-2-ene-3-carboxylic acid Openeye Name: 1,5,6-trihydroxy-7,7-dimethyl-5-methylsulfonyl-bicyclo[4.1.0]hept-2-ene-3-carboxylic acid CAS Name: 1,5,6-trihydroxy-7,7-dimethyl-5-methylsulfonyl-3-bicyclo[4.1.0]hept-2-enecarboxylic acid IUPAC Name: 1,5,6-trihydroxy-7,7-dimethyl-5-methylsulfonylbicyclo[4.1.0]hept-2-ene-3-carboxylic acid Traditional Name: 1,5,6-trihydroxy-5-mesyl-7,7-dimethyl-bicyclo[4.1.0]hept-2-ene-3-carboxylic acid Formula: C11H16O7S MolecularWeight: 292.30554

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(C1(C(CC(=C2)C(=O)O)(O)S(=O)(=O)C)O)O)C

Isomeric SMILES

CC1(C2(C1(C(CC(=C2)C(=O)O)(O)S(=O)(=O)C)O)O)C

InChI

InChI=1S/C11H16O7S/c1-8(2)9(14)4-6(7(12)13)5-10(15,11(8,9)16)19(3,17)18/h4,14-16H,5H2,1-3H3,(H,12,13)