4-methyl-2-[2-(4-methylphenyl)sulfanylethanoyl]-6-nitro-phenolate

Systemtic Name: 4-methyl-2-[2-(4-methylphenyl)sulfanylethanoyl]-6-nitro-phenolate Openeye Name: 4-methyl-2-nitro-6-[2-(p-tolylsulfanyl)acetyl]phenolate CAS Name: 4-methyl-2-[2-[(4-methylphenyl)thio]-1-oxoethyl]-6-nitrophenolate IUPAC Name: 4-methyl-2-[2-(4-methylphenyl)sulfanylacetyl]-6-nitrophenolate Traditional Name: 4-methyl-2-nitro-6-[2-(p-tolylthio)acetyl]phenolate Formula: C16H14NO4S- MolecularWeight: 316.35166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO4S/c1-10-3-5-12(6-4-10)22-9-15(18)13-7-11(2)8-14(16(13)19)17(20)21/h3-8,19H,9H2,1-2H3/p-1