diethylazanium; 2-[(triphenylmethyl)amino]-3-(triphenylmethyl)sulfanyl-propanoate

Systemtic Name: diethylazanium; 2-[(triphenylmethyl)amino]-3-(triphenylmethyl)sulfanyl-propanoate Openeye Name: diethylammonium; 2-(tritylamino)-3-tritylsulfanyl-propanoate CAS Name: diethylammonium; 2-[(triphenylmethyl)amino]-3-[(triphenylmethyl)thio]propanoate IUPAC Name: diethylazanium; 2-(tritylamino)-3-tritylsulfanylpropanoate Traditional Name: diethylammonium; 2-(tritylamino)-3-(tritylthio)propionate Formula: C45H46N2O2S MolecularWeight: 678.92394

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CC.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)[O-]

Isomeric SMILES

CC[NH2+]CC.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)[O-]

InChI

InChI=1S/C41H35NO2S.C4H11N/c43-39(44)38(42-40(32-19-7-1-8-20-32,33-21-9-2-10-22-33)34-23-11-3-12-24-34)31-45-41(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37;1-3-5-4-2/h1-30,38,42H,31H2,(H,43,44);5H,3-4H2,1-2H3