4-[[4-[[6-(trioxidanylsulfanyl)naphthalen-1-yl]amino]phthalazin-1-yl]amino]benzenesulfonic acid

Systemtic Name: 4-[[4-[[6-(trioxidanylsulfanyl)naphthalen-1-yl]amino]phthalazin-1-yl]amino]benzenesulfonic acid Openeye Name: 4-[[4-[[6-(trioxidanylsulfanyl)-1-naphthyl]amino]phthalazin-1-yl]amino]benzenesulfonic acid CAS Name: 4-[[4-[[6-(trioxidanylthio)-1-naphthalenyl]amino]-1-phthalazinyl]amino]benzenesulfonic acid IUPAC Name: 4-[[4-[[6-(trioxidanylsulfanyl)naphthalen-1-yl]amino]phthalazin-1-yl]amino]benzenesulfonic acid Traditional Name: 4-[[4-[[6-(trioxidanylthio)-1-naphthyl]amino]phthalazin-1-yl]amino]besylic acid Formula: C24H18N4O6S2 MolecularWeight: 522.55292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2NC3=CC=CC4=C3C=CC(=C4)SOOO)NC5=CC=C(C=C5)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2NC3=CC=CC4=C3C=CC(=C4)SOOO)NC5=CC=C(C=C5)S(=O)(=O)O

InChI

InChI=1S/C24H18N4O6S2/c29-33-34-35-17-10-13-19-15(14-17)4-3-7-22(19)26-24-21-6-2-1-5-20(21)23(27-28-24)25-16-8-11-18(12-9-16)36(30,31)32/h1-14,29H,(H,25,27)(H,26,28)(H,30,31,32)