4-azanyl-5-methylsulfonyloxy-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid

Systemtic Name: 4-azanyl-5-methylsulfonyloxy-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid Openeye Name: 4-amino-3-(1-ethylpropoxy)-5-methylsulfonyloxy-cyclohexene-1-carboxylic acid CAS Name: 4-amino-5-methylsulfonyloxy-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid IUPAC Name: 4-amino-5-methylsulfonyloxy-3-pentan-3-yloxycyclohexene-1-carboxylic acid Traditional Name: 4-amino-3-(1-ethylpropoxy)-5-methylsulfonyloxy-cyclohexene-1-carboxylic acid Formula: C13H23NO6S MolecularWeight: 321.38982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1N)OS(=O)(=O)C)C(=O)O

Isomeric SMILES

CCC(CC)OC1C=C(CC(C1N)OS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C13H23NO6S/c1-4-9(5-2)19-10-6-8(13(15)16)7-11(12(10)14)20-21(3,17)18/h6,9-12H,4-5,7,14H2,1-3H3,(H,15,16)