[bis(phenylmethyl)amino] 3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]propanoate

Systemtic Name: [bis(phenylmethyl)amino] 3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]propanoate Openeye Name: (dibenzylamino) 3-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylsulfanyl]propanoate CAS Name: 3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylthio]propanoic acid [bis(phenylmethyl)amino] ester IUPAC Name: (dibenzylamino) 3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]propanoate Traditional Name: 3-[(3,5-ditert-butyl-4-hydroxy-benzyl)thio]propionic acid (dibenzylamino) ester Formula: C32H41NO3S MolecularWeight: 519.73784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CSCCC(=O)ON(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CSCCC(=O)ON(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C32H41NO3S/c1-31(2,3)27-19-26(20-28(30(27)35)32(4,5)6)23-37-18-17-29(34)36-33(21-24-13-9-7-10-14-24)22-25-15-11-8-12-16-25/h7-16,19-20,35H,17-18,21-23H2,1-6H3