1-[3,4-bis(oxidanyl)phenyl]-2-phthalazin-1-ylsulfanyl-ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-phthalazin-1-ylsulfanyl-ethanone Openeye Name: 1-(3,4-dihydroxyphenyl)-2-phthalazin-1-ylsulfanyl-ethanone CAS Name: 1-(3,4-dihydroxyphenyl)-2-(1-phthalazinylthio)ethanone IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-phthalazin-1-ylsulfanylethanone Traditional Name: 1-(3,4-dihydroxyphenyl)-2-(phthalazin-1-ylthio)ethanone Formula: C16H12N2O3S MolecularWeight: 312.34308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN=C2SCC(=O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=NN=C2SCC(=O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C16H12N2O3S/c19-13-6-5-10(7-14(13)20)15(21)9-22-16-12-4-2-1-3-11(12)8-17-18-16/h1-8,19-20H,9H2