3-(4-methylphenyl)sulfanyl-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one

Systemtic Name: 3-(4-methylphenyl)sulfanyl-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-(p-tolylsulfanyl)propan-1-one CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-[(4-methylphenyl)thio]-1-propanone IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-(4-methylphenyl)sulfanylpropan-1-one Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-(p-tolylthio)propan-1-one Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5S/c1-10-2-4-12(5-3-10)23-7-6-14(18)11-8-13(17(21)22)16(20)15(19)9-11/h2-5,8-9,19-20H,6-7H2,1H3