3-azanyl-2-(3-oxidanylidenebutanoyl)benzenesulfonic acid

Systemtic Name: 3-azanyl-2-(3-oxidanylidenebutanoyl)benzenesulfonic acid Openeye Name: 3-amino-2-(3-oxobutanoyl)benzenesulfonic acid CAS Name: 3-amino-2-(1,3-dioxobutyl)benzenesulfonic acid IUPAC Name: 3-amino-2-(3-oxobutanoyl)benzenesulfonic acid Traditional Name: 2-acetoacetyl-3-amino-besylic acid Formula: C10H11NO5S MolecularWeight: 257.26304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C1=C(C=CC=C1S(=O)(=O)O)N

Isomeric SMILES

CC(=O)CC(=O)C1=C(C=CC=C1S(=O)(=O)O)N

InChI

InChI=1S/C10H11NO5S/c1-6(12)5-8(13)10-7(11)3-2-4-9(10)17(14,15)16/h2-4H,5,11H2,1H3,(H,14,15,16)