3-(chloromethylsulfanyl)-2-[(triphenylmethyl)amino]propanoic acid; methanal

Systemtic Name: 3-(chloromethylsulfanyl)-2-[(triphenylmethyl)amino]propanoic acid; methanal Openeye Name: 3-(chloromethylsulfanyl)-2-(tritylamino)propanoic acid; formaldehyde CAS Name: 3-(chloromethylthio)-2-[(triphenylmethyl)amino]propanoic acid; formaldehyde IUPAC Name: 3-(chloromethylsulfanyl)-2-(tritylamino)propanoic acid; formaldehyde Traditional Name: 3-(chloromethylthio)-2-(tritylamino)propionic acid; formaldehyde Formula: C24H24ClNO3S MolecularWeight: 441.97026

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Descriptors Computed from Structure

Canonical SMILES:

C=O.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(CSCCl)C(=O)O

Isomeric SMILES

C=O.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(CSCCl)C(=O)O

InChI

InChI=1S/C23H22ClNO2S.CH2O/c24-17-28-16-21(22(26)27)25-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-2/h1-15,21,25H,16-17H2,(H,26,27);1H2