6-[[4-[[6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]phthalazin-1-yl]amino]naphthalene-2-sulfonic acid

Systemtic Name: 6-[[4-[[6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]phthalazin-1-yl]amino]naphthalene-2-sulfonic acid Openeye Name: 6-[[4-[[6-(trioxidanylsulfanyl)-2-naphthyl]amino]phthalazin-1-yl]amino]naphthalene-2-sulfonic acid CAS Name: 6-[[4-[[6-(trioxidanylthio)-2-naphthalenyl]amino]-1-phthalazinyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 6-[[4-[[6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]phthalazin-1-yl]amino]naphthalene-2-sulfonic acid Traditional Name: 6-[[4-[[6-(trioxidanylthio)-2-naphthyl]amino]phthalazin-1-yl]amino]naphthalene-2-sulfonic acid Formula: C28H20N4O6S2 MolecularWeight: 572.6116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)NC5=CC6=C(C=C5)C=C(C=C6)SOOO

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)NC5=CC6=C(C=C5)C=C(C=C6)SOOO

InChI

InChI=1S/C28H20N4O6S2/c33-37-38-39-23-11-7-17-13-21(9-5-19(17)15-23)29-27-25-3-1-2-4-26(25)28(32-31-27)30-22-10-6-20-16-24(40(34,35)36)12-8-18(20)14-22/h1-16,33H,(H,29,31)(H,30,32)(H,34,35,36)