sodium 6-[[4-(2-iodanylethanoylamino)phenyl]amino]naphthalene-2-sulfonate

Systemtic Name: sodium 6-[[4-(2-iodanylethanoylamino)phenyl]amino]naphthalene-2-sulfonate Openeye Name: sodium 6-[4-[(2-iodoacetyl)amino]anilino]naphthalene-2-sulfonate CAS Name: sodium 6-[4-[(2-iodo-1-oxoethyl)amino]anilino]-2-naphthalenesulfonate IUPAC Name: sodium 6-[4-[(2-iodoacetyl)amino]anilino]naphthalene-2-sulfonate Traditional Name: sodium 6-[4-[(2-iodoacetyl)amino]anilino]naphthalene-2-sulfonate Formula: C18H14IN2NaO4S MolecularWeight: 504.274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)[O-])NC(=O)CI.[Na+]

Isomeric SMILES

C1=CC(=CC=C1NC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)[O-])NC(=O)CI.[Na+]

InChI

InChI=1S/C18H15IN2O4S.Na/c19-11-18(22)21-15-6-4-14(5-7-15)20-16-3-1-13-10-17(26(23,24)25)8-2-12(13)9-16;/h1-10,20H,11H2,(H,21,22)(H,23,24,25);/q;+1/p-1