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

Systemtic Name: 3-[bis(3-oxidanylidenebutanoyl)amino]benzenesulfonic acid Openeye Name: 3-[bis(3-oxobutanoyl)amino]benzenesulfonic acid CAS Name: 3-[bis(1,3-dioxobutyl)amino]benzenesulfonic acid IUPAC Name: 3-[bis(3-oxobutanoyl)amino]benzenesulfonic acid Traditional Name: 3-(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(=CC=C1)S(=O)(=O)O)C(=O)CC(=O)C

Isomeric SMILES

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

InChI

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