cobalt(2+); 4-nitro-2-[2-(2-pyridin-2-ylethylsulfanyl)ethyliminomethyl]phenolate; chloride

Systemtic Name: cobalt(2+); 4-nitro-2-[2-(2-pyridin-2-ylethylsulfanyl)ethyliminomethyl]phenolate; chloride Openeye Name: cobaltous 4-nitro-2-[2-[2-(2-pyridyl)ethylsulfanyl]ethyliminomethyl]phenolate chloride CAS Name: cobalt(2+); 4-nitro-2-[2-[2-(2-pyridinyl)ethylthio]ethyliminomethyl]phenolate; chloride IUPAC Name: cobalt(2+); 4-nitro-2-[2-(2-pyridin-2-ylethylsulfanyl)ethyliminomethyl]phenolate; chloride Traditional Name: cobaltous 4-nitro-2-[2-[2-(2-pyridyl)ethylthio]ethyliminomethyl]phenolate chloride Formula: C16H16ClCoN3O3S MolecularWeight: 424.76774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCSCCN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-].[Cl-].[Co+2]

Isomeric SMILES

C1=CC=NC(=C1)CCSCCN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-].[Cl-].[Co+2]

InChI

InChI=1S/C16H17N3O3S.ClH.Co/c20-16-5-4-15(19(21)22)11-13(16)12-17-8-10-23-9-6-14-3-1-2-7-18-14;;/h1-5,7,11-12,20H,6,8-10H2;1H;/q;;+2/p-2