phenoxymethyl 3-tert-butyl-6-(methylsulfinylmethyl)-2-phenethyl-benzoate

Systemtic Name: phenoxymethyl 3-tert-butyl-6-(methylsulfinylmethyl)-2-phenethyl-benzoate Openeye Name: phenoxymethyl 3-tert-butyl-6-(methylsulfinylmethyl)-2-phenethyl-benzoate CAS Name: 3-tert-butyl-6-(methylsulfinylmethyl)-2-phenethylbenzoic acid phenoxymethyl ester IUPAC Name: phenoxymethyl 3-tert-butyl-6-(methylsulfinylmethyl)-2-phenethylbenzoate Traditional Name: 3-tert-butyl-6-(methylsulfinylmethyl)-2-phenethyl-benzoic acid phenoxymethyl ester Formula: C28H32O4S MolecularWeight: 464.61628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C=C1)CS(=O)C)C(=O)OCOC2=CC=CC=C2)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C=C1)CS(=O)C)C(=O)OCOC2=CC=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C28H32O4S/c1-28(2,3)25-18-16-22(19-33(4)30)26(24(25)17-15-21-11-7-5-8-12-21)27(29)32-20-31-23-13-9-6-10-14-23/h5-14,16,18H,15,17,19-20H2,1-4H3