methyl 4-(bromomethyl)-3-(4-tert-butylphenyl)carbonylsulfanyl-benzoate

Systemtic Name: methyl 4-(bromomethyl)-3-(4-tert-butylphenyl)carbonylsulfanyl-benzoate Openeye Name: methyl 4-(bromomethyl)-3-(4-tert-butylbenzoyl)sulfanyl-benzoate CAS Name: 4-(bromomethyl)-3-[[(4-tert-butylphenyl)-oxomethyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-(bromomethyl)-3-(4-tert-butylbenzoyl)sulfanylbenzoate Traditional Name: 4-(bromomethyl)-3-[(4-tert-butylbenzoyl)thio]benzoic acid methyl ester Formula: C20H21BrO3S MolecularWeight: 421.34794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)SC2=C(C=CC(=C2)C(=O)OC)CBr

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)SC2=C(C=CC(=C2)C(=O)OC)CBr

InChI

InChI=1S/C20H21BrO3S/c1-20(2,3)16-9-7-13(8-10-16)19(23)25-17-11-14(18(22)24-4)5-6-15(17)12-21/h5-11H,12H2,1-4H3