2-(4-methylphenyl)sulfanyl-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone

Systemtic Name: 2-(4-methylphenyl)sulfanyl-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-(p-tolylsulfanyl)ethanone CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-[(4-methylphenyl)thio]ethanone IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(4-methylphenyl)sulfanylethanone Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-(p-tolylthio)ethanone Formula: C15H13NO5S MolecularWeight: 319.33242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO5S/c1-9-2-4-11(5-3-9)22-8-14(18)10-6-12(16(20)21)15(19)13(17)7-10/h2-7,17,19H,8H2,1H3