(4-nitrophenyl) 2-[(triphenylmethyl)amino]-3-(triphenylmethyl)sulfanyl-propanoate

Systemtic Name: (4-nitrophenyl) 2-[(triphenylmethyl)amino]-3-(triphenylmethyl)sulfanyl-propanoate Openeye Name: (4-nitrophenyl) 2-(tritylamino)-3-tritylsulfanyl-propanoate CAS Name: 2-[(triphenylmethyl)amino]-3-[(triphenylmethyl)thio]propanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-(tritylamino)-3-tritylsulfanylpropanoate Traditional Name: 2-(tritylamino)-3-(tritylthio)propionic acid (4-nitrophenyl) ester Formula: C47H38N2O4S MolecularWeight: 726.88062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(CSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OC7=CC=C(C=C7)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(CSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OC7=CC=C(C=C7)[N+](=O)[O-]

InChI

InChI=1S/C47H38N2O4S/c50-45(53-43-33-31-42(32-34-43)49(51)52)44(48-46(36-19-7-1-8-20-36,37-21-9-2-10-22-37)38-23-11-3-12-24-38)35-54-47(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-34,44,48H,35H2