[bis(phenylmethyl)amino] 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]propanoate

Systemtic Name: [bis(phenylmethyl)amino] 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]propanoate Openeye Name: (dibenzylamino) 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylsulfanyl]propanoate CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylthio]propanoic acid [bis(phenylmethyl)amino] ester IUPAC Name: (dibenzylamino) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]propanoate Traditional Name: 2-[(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(=O)ON(CC1=CC=CC=C1)CC2=CC=CC=C2)SCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(C(=O)ON(CC1=CC=CC=C1)CC2=CC=CC=C2)SCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C32H41NO3S/c1-23(37-22-26-18-27(31(2,3)4)29(34)28(19-26)32(5,6)7)30(35)36-33(20-24-14-10-8-11-15-24)21-25-16-12-9-13-17-25/h8-19,23,34H,20-22H2,1-7H3