2-azanyl-4-(3-oxidanylidenebutanoyl)benzenesulfonic acid

Systemtic Name: 2-azanyl-4-(3-oxidanylidenebutanoyl)benzenesulfonic acid Openeye Name: 2-amino-4-(3-oxobutanoyl)benzenesulfonic acid CAS Name: 2-amino-4-(1,3-dioxobutyl)benzenesulfonic acid IUPAC Name: 2-amino-4-(3-oxobutanoyl)benzenesulfonic acid Traditional Name: 4-acetoacetyl-2-amino-besylic acid Formula: C10H11NO5S MolecularWeight: 257.26304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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