2-[2-(4-methylphenyl)sulfanylethyliminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[2-(4-methylphenyl)sulfanylethyliminomethyl]-4-nitro-phenolate Openeye Name: 4-nitro-2-[2-(p-tolylsulfanyl)ethyliminomethyl]phenolate CAS Name: 2-[2-[(4-methylphenyl)thio]ethyliminomethyl]-4-nitrophenolate IUPAC Name: 2-[2-(4-methylphenyl)sulfanylethyliminomethyl]-4-nitrophenolate Traditional Name: 4-nitro-2-[2-(p-tolylthio)ethyliminomethyl]phenolate Formula: C16H15N2O3S- MolecularWeight: 315.3669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H16N2O3S/c1-12-2-5-15(6-3-12)22-9-8-17-11-13-10-14(18(20)21)4-7-16(13)19/h2-7,10-11,19H,8-9H2,1H3/p-1