4-[bis(3-oxidanylidenebutanoyl)amino]benzenesulfonic acid

Systemtic Name: 4-[bis(3-oxidanylidenebutanoyl)amino]benzenesulfonic acid Openeye Name: 4-[bis(3-oxobutanoyl)amino]benzenesulfonic acid CAS Name: 4-[bis(1,3-dioxobutyl)amino]benzenesulfonic acid IUPAC Name: 4-[bis(3-oxobutanoyl)amino]benzenesulfonic acid Traditional Name: 4-(diacetoacetylamino)besylic acid Formula: C14H15NO7S MolecularWeight: 341.3364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO7S/c1-9(16)7-13(18)15(14(19)8-10(2)17)11-3-5-12(6-4-11)23(20,21)22/h3-6H,7-8H2,1-2H3,(H,20,21,22)