azanium 3-oxidanyl-7-(3-oxidanylidenebutanoylamino)naphthalene-1-sulfonate

Systemtic Name: azanium 3-oxidanyl-7-(3-oxidanylidenebutanoylamino)naphthalene-1-sulfonate Openeye Name: ammonium 3-hydroxy-7-(3-oxobutanoylamino)naphthalene-1-sulfonate CAS Name: ammonium 7-(1,3-dioxobutylamino)-3-hydroxy-1-naphthalenesulfonate IUPAC Name: azanium 3-hydroxy-7-(3-oxobutanoylamino)naphthalene-1-sulfonate Traditional Name: ammonium 7-(acetoacetylamino)-3-hydroxy-naphthalene-1-sulfonate Formula: C14H16N2O6S MolecularWeight: 340.35164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC2=C(C=C(C=C2C=C1)O)S(=O)(=O)[O-].[NH4+]

Isomeric SMILES

CC(=O)CC(=O)NC1=CC2=C(C=C(C=C2C=C1)O)S(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C14H13NO6S.H3N/c1-8(16)4-14(18)15-10-3-2-9-5-11(17)7-13(12(9)6-10)22(19,20)21;/h2-3,5-7,17H,4H2,1H3,(H,15,18)(H,19,20,21);1H3