azanium 5-(3-oxidanylidenebutanoylamino)naphthalene-1-sulfonate

Systemtic Name: azanium 5-(3-oxidanylidenebutanoylamino)naphthalene-1-sulfonate Openeye Name: ammonium 5-(3-oxobutanoylamino)naphthalene-1-sulfonate CAS Name: ammonium 5-(1,3-dioxobutylamino)-1-naphthalenesulfonate IUPAC Name: azanium 5-(3-oxobutanoylamino)naphthalene-1-sulfonate Traditional Name: ammonium 5-(acetoacetylamino)naphthalene-1-sulfonate Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC=CC2=C1C=CC=C2S(=O)(=O)[O-].[NH4+]

Isomeric SMILES

CC(=O)CC(=O)NC1=CC=CC2=C1C=CC=C2S(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C14H13NO5S.H3N/c1-9(16)8-14(17)15-12-6-2-5-11-10(12)4-3-7-13(11)21(18,19)20;/h2-7H,8H2,1H3,(H,15,17)(H,18,19,20);1H3