S-methyl 2-(4-dodecylphenyl)sulfonyloxy-2-phenyl-propanethioate

Systemtic Name: S-methyl 2-(4-dodecylphenyl)sulfonyloxy-2-phenyl-propanethioate Openeye Name: S-methyl 2-(4-dodecylphenyl)sulfonyloxy-2-phenyl-propanethioate CAS Name: 2-(4-dodecylphenyl)sulfonyloxy-2-phenylpropanethioic acid S-methyl ester IUPAC Name: S-methyl 2-(4-dodecylphenyl)sulfonyloxy-2-phenylpropanethioate Traditional Name: 2-(4-laurylphenyl)sulfonyloxy-2-phenyl-propanethioic acid S-methyl ester Formula: C28H40O4S2 MolecularWeight: 504.7448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OC(C)(C2=CC=CC=C2)C(=O)SC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OC(C)(C2=CC=CC=C2)C(=O)SC

InChI

InChI=1S/C28H40O4S2/c1-4-5-6-7-8-9-10-11-12-14-17-24-20-22-26(23-21-24)34(30,31)32-28(2,27(29)33-3)25-18-15-13-16-19-25/h13,15-16,18-23H,4-12,14,17H2,1-3H3