2-azanyl-5-(3-oxidanylidenebutanoylamino)benzenesulfonic acid; pentane-2,4-dione

Systemtic Name: 2-azanyl-5-(3-oxidanylidenebutanoylamino)benzenesulfonic acid; pentane-2,4-dione Openeye Name: 2-amino-5-(3-oxobutanoylamino)benzenesulfonic acid; pentane-2,4-dione CAS Name: 2-amino-5-(1,3-dioxobutylamino)benzenesulfonic acid; pentane-2,4-dione IUPAC Name: 2-amino-5-(3-oxobutanoylamino)benzenesulfonic acid; pentane-2,4-dione Traditional Name: 5-(acetoacetylamino)-2-amino-besylic acid; pentane-2,4-dione Formula: C15H20N2O7S MolecularWeight: 372.3935

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O5S.C5H8O2/c1-6(13)4-10(14)12-7-2-3-8(11)9(5-7)18(15,16)17;1-4(6)3-5(2)7/h2-3,5H,4,11H2,1H3,(H,12,14)(H,15,16,17);3H2,1-2H3