2-azanyl-3,6-dimethoxy-4-(3-oxidanylidenebutanoyl)benzenesulfonic acid

Systemtic Name: 2-azanyl-3,6-dimethoxy-4-(3-oxidanylidenebutanoyl)benzenesulfonic acid Openeye Name: 2-amino-3,6-dimethoxy-4-(3-oxobutanoyl)benzenesulfonic acid CAS Name: 2-amino-4-(1,3-dioxobutyl)-3,6-dimethoxybenzenesulfonic acid IUPAC Name: 2-amino-3,6-dimethoxy-4-(3-oxobutanoyl)benzenesulfonic acid Traditional Name: 4-acetoacetyl-2-amino-3,6-dimethoxy-besylic acid Formula: C12H15NO7S MolecularWeight: 317.315

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C1=CC(=C(C(=C1OC)N)S(=O)(=O)O)OC

Isomeric SMILES

CC(=O)CC(=O)C1=CC(=C(C(=C1OC)N)S(=O)(=O)O)OC

InChI

InChI=1S/C12H15NO7S/c1-6(14)4-8(15)7-5-9(19-2)12(21(16,17)18)10(13)11(7)20-3/h5H,4,13H2,1-3H3,(H,16,17,18)