2-[5-(2-carboxyethylsulfanyl)-2,4-dinitro-phenyl]sulfanylbenzoic acid

Systemtic Name: 2-[5-(2-carboxyethylsulfanyl)-2,4-dinitro-phenyl]sulfanylbenzoic acid Openeye Name: 2-[5-(2-carboxyethylsulfanyl)-2,4-dinitro-phenyl]sulfanylbenzoic acid CAS Name: 2-[[5-(2-carboxyethylthio)-2,4-dinitrophenyl]thio]benzoic acid IUPAC Name: 2-[5-(2-carboxyethylsulfanyl)-2,4-dinitrophenyl]sulfanylbenzoic acid Traditional Name: 2-[[5-(2-carboxyethylthio)-2,4-dinitro-phenyl]thio]benzoic acid Formula: C16H12N2O8S2 MolecularWeight: 424.40508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])SCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])SCCC(=O)O

InChI

InChI=1S/C16H12N2O8S2/c19-15(20)5-6-27-13-8-14(11(18(25)26)7-10(13)17(23)24)28-12-4-2-1-3-9(12)16(21)22/h1-4,7-8H,5-6H2,(H,19,20)(H,21,22)