N-[3-(2-hydroxyethylsulfonyl)phenyl]-3-oxidanylidene-butanamide; phosphoric acid

Systemtic Name: N-[3-(2-hydroxyethylsulfonyl)phenyl]-3-oxidanylidene-butanamide; phosphoric acid Openeye Name: N-[3-(2-hydroxyethylsulfonyl)phenyl]-3-oxo-butanamide; phosphoric acid CAS Name: N-[3-(2-hydroxyethylsulfonyl)phenyl]-3-oxobutanamide; phosphoric acid IUPAC Name: N-[3-(2-hydroxyethylsulfonyl)phenyl]-3-oxobutanamide; phosphoric acid Traditional Name: N-[3-(2-hydroxyethylsulfonyl)phenyl]-3-keto-butyramide; phosphoric acid Formula: C12H18NO9PS MolecularWeight: 383.311381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC(=CC=C1)S(=O)(=O)CCO.OP(=O)(O)O

Isomeric SMILES

CC(=O)CC(=O)NC1=CC(=CC=C1)S(=O)(=O)CCO.OP(=O)(O)O

InChI

InChI=1S/C12H15NO5S.H3O4P/c1-9(15)7-12(16)13-10-3-2-4-11(8-10)19(17,18)6-5-14;1-5(2,3)4/h2-4,8,14H,5-7H2,1H3,(H,13,16);(H3,1,2,3,4)