4-(4-methylphenyl)sulfanyl-3-nitro-benzoic acid

Molecular Formula: C14H11NO4S


InChI: InChI=1/C14H11NO4S/c1-9-2-5-11(6-3-9)20-13-7-4-10(14(16)17)8-12(13)15(18)19/h2-8H,1H3,(H,16,17)/f/h16H

InChIKey: InChIKey=XXUBZSQLPIRCFW-WYUMXYHSCB
SMILES: CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Names:
    4-(4-methylphenyl)sulfanyl-3-nitro-benzoic acid

Registries:
    PubChem CID 706203
    PubChem ID 3256183