1,4-bis(3-oxidanylidenebutanoylamino)cyclohexa-2,4-diene-1-sulfonic acid

Systemtic Name: 1,4-bis(3-oxidanylidenebutanoylamino)cyclohexa-2,4-diene-1-sulfonic acid Openeye Name: 1,4-bis(3-oxobutanoylamino)cyclohexa-2,4-diene-1-sulfonic acid CAS Name: 1,4-bis(1,3-dioxobutylamino)-1-cyclohexa-2,4-dienesulfonic acid IUPAC Name: 1,4-bis(3-oxobutanoylamino)cyclohexa-2,4-diene-1-sulfonic acid Traditional Name: 1,4-bis(acetoacetylamino)cyclohexa-2,4-diene-1-sulfonic acid Formula: C14H18N2O7S MolecularWeight: 358.36692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O7S/c1-9(17)7-12(19)15-11-3-5-14(6-4-11,24(21,22)23)16-13(20)8-10(2)18/h3-5H,6-8H2,1-2H3,(H,15,19)(H,16,20)(H,21,22,23)