2-azanyl-5-(3-oxidanylidenebutanoylamino)benzenesulfonic acid

Systemtic Name: 2-azanyl-5-(3-oxidanylidenebutanoylamino)benzenesulfonic acid Openeye Name: 2-amino-5-(3-oxobutanoylamino)benzenesulfonic acid CAS Name: 2-amino-5-(1,3-dioxobutylamino)benzenesulfonic acid IUPAC Name: 2-amino-5-(3-oxobutanoylamino)benzenesulfonic acid Traditional Name: 5-(acetoacetylamino)-2-amino-besylic acid Formula: C10H12N2O5S MolecularWeight: 272.27768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC(=C(C=C1)N)S(=O)(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC1=CC(=C(C=C1)N)S(=O)(=O)O

InChI

InChI=1S/C10H12N2O5S/c1-6(13)4-10(14)12-7-2-3-8(11)9(5-7)18(15,16)17/h2-3,5H,4,11H2,1H3,(H,12,14)(H,15,16,17)