4-(diethoxyphosphorylamino)-5-methylsulfonyloxy-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid

Systemtic Name: 4-(diethoxyphosphorylamino)-5-methylsulfonyloxy-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid Openeye Name: 4-(diethoxyphosphorylamino)-3-(1-ethylpropoxy)-5-methylsulfonyloxy-cyclohexene-1-carboxylic acid CAS Name: 4-(diethoxyphosphorylamino)-5-methylsulfonyloxy-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid IUPAC Name: 4-(diethoxyphosphorylamino)-5-methylsulfonyloxy-3-pentan-3-yloxycyclohexene-1-carboxylic acid Traditional Name: 4-(diethoxyphosphorylamino)-3-(1-ethylpropoxy)-5-methylsulfonyloxy-cyclohexene-1-carboxylic acid Formula: C17H32NO9PS MolecularWeight: 457.476041

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1NP(=O)(OCC)OCC)OS(=O)(=O)C)C(=O)O

Isomeric SMILES

CCC(CC)OC1C=C(CC(C1NP(=O)(OCC)OCC)OS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C17H32NO9PS/c1-6-13(7-2)26-14-10-12(17(19)20)11-15(27-29(5,22)23)16(14)18-28(21,24-8-3)25-9-4/h10,13-16H,6-9,11H2,1-5H3,(H,18,21)(H,19,20)