4-nitro-2-(3-phenylsulfanylpropyliminomethyl)phenolate

Systemtic Name: 4-nitro-2-(3-phenylsulfanylpropyliminomethyl)phenolate Openeye Name: 4-nitro-2-(3-phenylsulfanylpropyliminomethyl)phenolate CAS Name: 4-nitro-2-[3-(phenylthio)propyliminomethyl]phenolate IUPAC Name: 4-nitro-2-(3-phenylsulfanylpropyliminomethyl)phenolate Traditional Name: 4-nitro-2-[3-(phenylthio)propyliminomethyl]phenolate Formula: C16H15N2O3S- MolecularWeight: 315.3669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S/c19-16-8-7-14(18(20)21)11-13(16)12-17-9-4-10-22-15-5-2-1-3-6-15/h1-3,5-8,11-12,19H,4,9-10H2/p-1