sodium 4-[[(Z)-1-oxidanyl-3-oxidanylidene-but-1-enyl]amino]naphthalene-1-sulfonate

Systemtic Name: sodium 4-[[(Z)-1-oxidanyl-3-oxidanylidene-but-1-enyl]amino]naphthalene-1-sulfonate Openeye Name: sodium 4-[[(Z)-1-hydroxy-3-oxo-but-1-enyl]amino]naphthalene-1-sulfonate CAS Name: sodium 4-[[(Z)-1-hydroxy-3-oxobut-1-enyl]amino]-1-naphthalenesulfonate IUPAC Name: sodium 4-[[(Z)-1-hydroxy-3-oxobut-1-enyl]amino]naphthalene-1-sulfonate Traditional Name: sodium 4-[[(Z)-1-hydroxy-3-keto-but-1-enyl]amino]naphthalene-1-sulfonate Formula: C14H12NNaO5S MolecularWeight: 329.30355

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=C(NC1=CC=C(C2=CC=CC=C21)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CC(=O)/C=C(/NC1=CC=C(C2=CC=CC=C21)S(=O)(=O)[O-])\O.[Na+]

InChI

InChI=1S/C14H13NO5S.Na/c1-9(16)8-14(17)15-12-6-7-13(21(18,19)20)11-5-3-2-4-10(11)12;/h2-8,15,17H,1H3,(H,18,19,20);/q;+1/p-1/b14-8-;