tert-butyl 2-methyl-3-[2-[[4-(4-phenylhexan-2-yl)phenyl]methoxy]ethylsulfanyl]propanoate

Systemtic Name: tert-butyl 2-methyl-3-[2-[[4-(4-phenylhexan-2-yl)phenyl]methoxy]ethylsulfanyl]propanoate Openeye Name: tert-butyl 2-methyl-3-[2-[[4-(1-methyl-3-phenyl-pentyl)phenyl]methoxy]ethylsulfanyl]propanoate CAS Name: 2-methyl-3-[2-[[4-(4-phenylhexan-2-yl)phenyl]methoxy]ethylthio]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-methyl-3-[2-[[4-(4-phenylhexan-2-yl)phenyl]methoxy]ethylsulfanyl]propanoate Traditional Name: 2-methyl-3-[2-[4-(1-methyl-3-phenyl-pentyl)benzyl]oxyethylthio]propionic acid tert-butyl ester Formula: C29H42O3S MolecularWeight: 470.70698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C1=CC=C(C=C1)COCCSCC(C)C(=O)OC(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

CCC(CC(C)C1=CC=C(C=C1)COCCSCC(C)C(=O)OC(C)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C29H42O3S/c1-7-25(27-11-9-8-10-12-27)19-22(2)26-15-13-24(14-16-26)20-31-17-18-33-21-23(3)28(30)32-29(4,5)6/h8-16,22-23,25H,7,17-21H2,1-6H3