sodium; 3-[(2E)-2-[1,3-bis(oxidanylidene)-1-phenylazanyl-butan-2-ylidene]hydrazinyl]-5-nitro-2-oxidanyl-benzenesulfonate; chromium; hydrate

Systemtic Name: sodium; 3-[(2E)-2-[1,3-bis(oxidanylidene)-1-phenylazanyl-butan-2-ylidene]hydrazinyl]-5-nitro-2-oxidanyl-benzenesulfonate; chromium; hydrate Openeye Name: sodium; chromium; 2-hydroxy-5-nitro-3-[(2E)-2-[2-oxo-1-(phenylcarbamoyl)propylidene]hydrazino]benzenesulfonate; hydrate CAS Name: sodium; 3-[(2E)-2-(1-anilino-1,3-dioxobutan-2-ylidene)hydrazinyl]-2-hydroxy-5-nitrobenzenesulfonate; chromium; hydrate IUPAC Name: sodium; 3-[(2E)-2-(1-anilino-1,3-dioxobutan-2-ylidene)hydrazinyl]-2-hydroxy-5-nitrobenzenesulfonate; chromium; hydrate Traditional Name: sodium; chromium; 2-hydroxy-3-[(N'E)-N'-[2-keto-1-(phenylcarbamoyl)propylidene]hydrazino]-5-nitro-besylate; hydrate Formula: C16H15CrN4NaO9S MolecularWeight: 514.36257

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NNC1=CC(=CC(=C1O)S(=O)(=O)[O-])[N+](=O)[O-])C(=O)NC2=CC=CC=C2.O.[Na+].[Cr]

Isomeric SMILES

CC(=O)/C(=N\NC1=CC(=CC(=C1O)S(=O)(=O)[O-])[N+](=O)[O-])/C(=O)NC2=CC=CC=C2.O.[Na+].[Cr]

InChI

InChI=1S/C16H14N4O8S.Cr.Na.H2O/c1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;;;/h2-8,18,22H,1H3,(H,17,23)(H,26,27,28);;;1H2/q;;+1;/p-1/b19-14+;;;