[2,2,2-tris(methylsulfanyl)-1-oxidanyl-1-phenyl-ethyl] benzoate

Systemtic Name: [2,2,2-tris(methylsulfanyl)-1-oxidanyl-1-phenyl-ethyl] benzoate Openeye Name: [1-hydroxy-2,2,2-tris(methylsulfanyl)-1-phenyl-ethyl] benzoate CAS Name: benzoic acid [1-hydroxy-2,2,2-tris(methylthio)-1-phenylethyl] ester IUPAC Name: [1-hydroxy-2,2,2-tris(methylsulfanyl)-1-phenylethyl] benzoate Traditional Name: benzoic acid [1-hydroxy-2,2,2-tris(methylthio)-1-phenyl-ethyl] ester Formula: C18H20O3S3 MolecularWeight: 380.5446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(C(C1=CC=CC=C1)(O)OC(=O)C2=CC=CC=C2)(SC)SC

Isomeric SMILES

CSC(C(C1=CC=CC=C1)(O)OC(=O)C2=CC=CC=C2)(SC)SC

InChI

InChI=1S/C18H20O3S3/c1-22-18(23-2,24-3)17(20,15-12-8-5-9-13-15)21-16(19)14-10-6-4-7-11-14/h4-13,20H,1-3H3