sodium 7-(3-oxidanylidenebutanoylamino)naphthalene-2-sulfonate

Systemtic Name: sodium 7-(3-oxidanylidenebutanoylamino)naphthalene-2-sulfonate Openeye Name: sodium 7-(3-oxobutanoylamino)naphthalene-2-sulfonate CAS Name: sodium 7-(1,3-dioxobutylamino)-2-naphthalenesulfonate IUPAC Name: sodium 7-(3-oxobutanoylamino)naphthalene-2-sulfonate Traditional Name: sodium 7-(acetoacetylamino)naphthalene-2-sulfonate Formula: C14H12NNaO5S MolecularWeight: 329.30355

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)CC(=O)NC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)[O-].[Na+]

InChI

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