(4-nitrophenyl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(triphenylmethyl)sulfanyl-propanoate

Systemtic Name: (4-nitrophenyl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(triphenylmethyl)sulfanyl-propanoate Openeye Name: (4-nitrophenyl) 2-(1,3-dioxoisoindolin-2-yl)-3-tritylsulfanyl-propanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-[(triphenylmethyl)thio]propanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-(1,3-dioxoisoindol-2-yl)-3-tritylsulfanylpropanoate Traditional Name: 2-phthalimido-3-(tritylthio)propionic acid (4-nitrophenyl) ester Formula: C36H26N2O6S MolecularWeight: 614.66644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)OC4=CC=C(C=C4)[N+](=O)[O-])N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)OC4=CC=C(C=C4)[N+](=O)[O-])N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C36H26N2O6S/c39-33-30-18-10-11-19-31(30)34(40)37(33)32(35(41)44-29-22-20-28(21-23-29)38(42)43)24-45-36(25-12-4-1-5-13-25,26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-23,32H,24H2