4-chloranyl-2-nitro-6-[2-(phenylmethylsulfanyl)ethyliminomethyl]phenolate

Systemtic Name: 4-chloranyl-2-nitro-6-[2-(phenylmethylsulfanyl)ethyliminomethyl]phenolate Openeye Name: 2-(2-benzylsulfanylethyliminomethyl)-4-chloro-6-nitro-phenolate CAS Name: 4-chloro-2-nitro-6-[2-(phenylmethylthio)ethyliminomethyl]phenolate IUPAC Name: 2-(2-benzylsulfanylethyliminomethyl)-4-chloro-6-nitrophenolate Traditional Name: 2-[2-(benzylthio)ethyliminomethyl]-4-chloro-6-nitro-phenolate Formula: C16H14ClN2O3S- MolecularWeight: 349.81196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CSCCN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN2O3S/c17-14-8-13(16(20)15(9-14)19(21)22)10-18-6-7-23-11-12-4-2-1-3-5-12/h1-5,8-10,20H,6-7,11H2/p-1