sodium 7-[(3-nitrophenyl)carbonylamino]-4-oxidanyl-naphthalene-2-sulfonate

Systemtic Name: sodium 7-[(3-nitrophenyl)carbonylamino]-4-oxidanyl-naphthalene-2-sulfonate Openeye Name: sodium 4-hydroxy-7-[(3-nitrobenzoyl)amino]naphthalene-2-sulfonate CAS Name: sodium 4-hydroxy-7-[[(3-nitrophenyl)-oxomethyl]amino]-2-naphthalenesulfonate IUPAC Name: sodium 4-hydroxy-7-[(3-nitrobenzoyl)amino]naphthalene-2-sulfonate Traditional Name: sodium 4-hydroxy-7-[(3-nitrobenzoyl)amino]naphthalene-2-sulfonate Formula: C17H11N2NaO7S MolecularWeight: 410.33321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H12N2O7S.Na/c20-16-9-14(27(24,25)26)8-11-6-12(4-5-15(11)16)18-17(21)10-2-1-3-13(7-10)19(22)23;/h1-9,20H,(H,18,21)(H,24,25,26);/q;+1/p-1