3,5-bis(3-oxidanylidenebutanoylamino)benzenesulfonic acid

Systemtic Name: 3,5-bis(3-oxidanylidenebutanoylamino)benzenesulfonic acid Openeye Name: 3,5-bis(3-oxobutanoylamino)benzenesulfonic acid CAS Name: 3,5-bis(1,3-dioxobutylamino)benzenesulfonic acid IUPAC Name: 3,5-bis(3-oxobutanoylamino)benzenesulfonic acid Traditional Name: 3,5-bis(acetoacetylamino)besylic acid Formula: C14H16N2O7S MolecularWeight: 356.35104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O7S/c1-8(17)3-13(19)15-10-5-11(16-14(20)4-9(2)18)7-12(6-10)24(21,22)23/h5-7H,3-4H2,1-2H3,(H,15,19)(H,16,20)(H,21,22,23)