ethanedioic acid; (2,4,6-trimethylphenyl) 2-azanyl-3-(triphenylmethyl)sulfanyl-propanoate

Systemtic Name: ethanedioic acid; (2,4,6-trimethylphenyl) 2-azanyl-3-(triphenylmethyl)sulfanyl-propanoate Openeye Name: oxalic acid; (2,4,6-trimethylphenyl) 2-amino-3-tritylsulfanyl-propanoate CAS Name: 2-amino-3-[(triphenylmethyl)thio]propanoic acid (2,4,6-trimethylphenyl) ester; oxalic acid IUPAC Name: oxalic acid; (2,4,6-trimethylphenyl) 2-amino-3-tritylsulfanylpropanoate Traditional Name: 2-amino-3-(tritylthio)propionic acid mesityl ester; oxalic acid Formula: C33H33NO6S MolecularWeight: 571.68322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OC(=O)C(CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OC(=O)C(CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C31H31NO2S.C2H2O4/c1-22-19-23(2)29(24(3)20-22)34-30(33)28(32)21-35-31(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27;3-1(4)2(5)6/h4-20,28H,21,32H2,1-3H3;(H,3,4)(H,5,6)